N,2-dimethyl-N-(2-methylpropyl)propan-1-amine;ethane;3-ethyl-2-(methylamino)benzimidazole-5-carbaldehyde;4-methylbenzaldehyde

C32H54N4O2 — CID 142936936

IUPACN,2-dimethyl-N-(2-methylpropyl)propan-1-amine;ethane;3-ethyl-2-(methylamino)benzimidazole-5-carbaldehyde;4-methylbenzaldehyde
SMILESCC.CC.CC(C)CN(C)CC(C)C.CCn1c(NC)nc2ccc(C=O)cc21.Cc1ccc(C=O)cc1
InChIInChI=1S/C11H13N3O.C9H21N.C8H8O.2C2H6/c1-3-14-10-6-8(7-15)4-5-9(10)13-11(14)12-2;1-8(2)6-10(5)7-9(3)4;1-7-2-4-8(6-9)5-3-7;2*1-2/h4-7H,3H2,1-2H3,(H,12,13);8-9H,6-7H2,1-5H3;2-6H,1H3;2*1-2H3
InChIKeyAILUHHMRCJDWBN-UHFFFAOYSA-N
MW526.81 g/mol
LogP8.00
Rot. Bonds8

About N,2-dimethyl-N-(2-methylpropyl)propan-1-amine;ethane;3-ethyl-2-(methylamino)benzimidazole-5-carbaldehyde;4-methylbenzaldehyde

N,2-dimethyl-N-(2-methylpropyl)propan-1-amine;ethane;3-ethyl-2-(methylamino)benzimidazole-5-carbaldehyde;4-methylbenzaldehyde (PubChem CID 142936936) has the molecular formula C32H54N4O2 and a molecular weight of 526.81 g/mol. Its IUPAC name is N,2-dimethyl-N-(2-methylpropyl)propan-1-amine;ethane;3-ethyl-2-(methylamino)benzimidazole-5-carbaldehyde;4-methylbenzaldehyde.

Molecular Properties

Compound NameN,2-dimethyl-N-(2-methylpropyl)propan-1-amine;ethane;3-ethyl-2-(methylamino)benzimidazole-5-carbaldehyde;4-methylbenzaldehyde
PubChem CID142936936
Molecular FormulaC32H54N4O2
Molecular Weight526.81 g/mol
Exact Mass526.42
IUPAC NameN,2-dimethyl-N-(2-methylpropyl)propan-1-amine;ethane;3-ethyl-2-(methylamino)benzimidazole-5-carbaldehyde;4-methylbenzaldehyde
SMILESCC.CC.CC(C)CN(C)CC(C)C.CCn1c(NC)nc2ccc(C=O)cc21.Cc1ccc(C=O)cc1
InChIInChI=1S/C11H13N3O.C9H21N.C8H8O.2C2H6/c1-3-14-10-6-8(7-15)4-5-9(10)13-11(14)12-2;1-8(2)6-10(5)7-9(3)4;1-7-2-4-8(6-9)5-3-7;2*1-2/h4-7H,3H2,1-2H3,(H,12,13);8-9H,6-7H2,1-5H3;2-6H,1H3;2*1-2H3
InChIKeyAILUHHMRCJDWBN-UHFFFAOYSA-N
XLogP8.00
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.81
LogP ≤ 58.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N,3-dimethyl-N-(3-methylbutyl)butan-1-amine;4-[(6-formyl-1-methylbenzimidazol-2-yl)amino]-N-methylbenzamide;propane
CID 142936992
2-[[(4-chlorophenyl)sulfanylamino]methyl]-3-ethylbenzimidazole-5-carbaldehyde;N,N-dimethylmethanamine
CID 143667857
3-[(1-ethylbenzimidazol-2-yl)methyl]-4-methylbenzaldehyde
CID 105408180
4-[ethyl(2-methylpropyl)amino]-3-methylbenzaldehyde
CID 62122123
2-ethylindazole-5-carbaldehyde
CID 84717515
2-(4-methylphenyl)indazole-6-carbaldehyde
CID 134163737
[1-(1-ethyl-6-methylbenzimidazol-2-yl)-2,2-dimethylpropyl]carbamic acid
CID 67258730
2-amino-3-(2-hydroxy-2-methylpropyl)benzimidazole-5-carbaldehyde
CID 139447620
ethyl 2-[2-(methylamino)benzimidazol-1-yl]acetate
CID 10376688
2-methyl-1-propan-2-ylindole-6-carbaldehyde
CID 117204814
1-ethyl-7-methyl-2-oxoquinoline-3-carbaldehyde
CID 18802182
N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-methylaniline
CID 115472577

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(2-methylpropyl)propan-1-amine;ethane;3-ethyl-2-(methylamino)benzimidazole-5-carbaldehyde;4-methylbenzaldehyde?
The IUPAC name of N,2-dimethyl-N-(2-methylpropyl)propan-1-amine;ethane;3-ethyl-2-(methylamino)benzimidazole-5-carbaldehyde;4-methylbenzaldehyde (CID 142936936) is N,2-dimethyl-N-(2-methylpropyl)propan-1-amine;ethane;3-ethyl-2-(methylamino)benzimidazole-5-carbaldehyde;4-methylbenzaldehyde.
What is the SMILES notation for N,2-dimethyl-N-(2-methylpropyl)propan-1-amine;ethane;3-ethyl-2-(methylamino)benzimidazole-5-carbaldehyde;4-methylbenzaldehyde?
The canonical SMILES for N,2-dimethyl-N-(2-methylpropyl)propan-1-amine;ethane;3-ethyl-2-(methylamino)benzimidazole-5-carbaldehyde;4-methylbenzaldehyde is CC.CC.CC(C)CN(C)CC(C)C.CCn1c(NC)nc2ccc(C=O)cc21.Cc1ccc(C=O)cc1.
What is the InChIKey of N,2-dimethyl-N-(2-methylpropyl)propan-1-amine;ethane;3-ethyl-2-(methylamino)benzimidazole-5-carbaldehyde;4-methylbenzaldehyde?
The InChIKey is AILUHHMRCJDWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O.C9H21N.C8H8O.2C2H6/c1-3-14-10-6-8(7-15)4-5-9(10)13-11(14)12-2;1-8(2)6-10(5)7-9(3)4;1-7-2-4-8(6-9)5-3-7;2*1-2/h4-7H,3H2,1-2H3,(H,12,13);8-9H,6-7H2,1-5H3;2-6H,1H3;2*1-2H3.
What are the key properties of N,2-dimethyl-N-(2-methylpropyl)propan-1-amine;ethane;3-ethyl-2-(methylamino)benzimidazole-5-carbaldehyde;4-methylbenzaldehyde?
N,2-dimethyl-N-(2-methylpropyl)propan-1-amine;ethane;3-ethyl-2-(methylamino)benzimidazole-5-carbaldehyde;4-methylbenzaldehyde has a molecular weight of 526.81 g/mol, XLogP of 8.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(2-methylpropyl)propan-1-amine;ethane;3-ethyl-2-(methylamino)benzimidazole-5-carbaldehyde;4-methylbenzaldehyde is sourced from PubChem (CID 142936936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).