N-butan-2-yl-N,2-dimethyl-2-phenyl-N'-propylpropane-1,3-diamine

C18H32N2 — CID 62263083

IUPACN-butan-2-yl-N,2-dimethyl-2-phenyl-N'-propylpropane-1,3-diamine
SMILESCCCNCC(C)(CN(C)C(C)CC)c1ccccc1
InChIInChI=1S/C18H32N2/c1-6-13-19-14-18(4,15-20(5)16(3)7-2)17-11-9-8-10-12-17/h8-12,16,19H,6-7,13-15H2,1-5H3
InChIKeyKHQNAMAASNGSMN-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.67
Rot. Bonds9

About N-butan-2-yl-N,2-dimethyl-2-phenyl-N'-propylpropane-1,3-diamine

N-butan-2-yl-N,2-dimethyl-2-phenyl-N'-propylpropane-1,3-diamine (PubChem CID 62263083) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N-butan-2-yl-N,2-dimethyl-2-phenyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-butan-2-yl-N,2-dimethyl-2-phenyl-N'-propylpropane-1,3-diamine
PubChem CID62263083
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN-butan-2-yl-N,2-dimethyl-2-phenyl-N'-propylpropane-1,3-diamine
SMILESCCCNCC(C)(CN(C)C(C)CC)c1ccccc1
InChIInChI=1S/C18H32N2/c1-6-13-19-14-18(4,15-20(5)16(3)7-2)17-11-9-8-10-12-17/h8-12,16,19H,6-7,13-15H2,1-5H3
InChIKeyKHQNAMAASNGSMN-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-phenyl-N,N,N'-tripropylpropane-1,3-diamine
CID 63482320
N-(2-methoxyethyl)-N,2-dimethyl-2-phenyl-N'-propylpropane-1,3-diamine
CID 62259863
N-(cyclopropylmethyl)-N-ethyl-2-methyl-2-phenyl-N'-propylpropane-1,3-diamine
CID 63954461
N,2-dimethyl-2-phenyl-N,N'-di(propan-2-yl)propane-1,3-diamine
CID 62262825
N,N'-diethyl-2-methyl-2-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 62261442
N,N'-diethyl-2-methyl-2-phenyl-N'-propylpropane-1,3-diamine
CID 62262898
N-ethyl-N',2-dimethyl-2-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62256339
2-ethyl-2-phenyl-N-propylbutan-1-amine
CID 62596576
2-methyl-3-morpholin-4-yl-2-phenyl-N-propylpropan-1-amine
CID 62263166
2-methyl-2-phenyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine
CID 62261570
3-[butan-2-yl(methyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64798274
N-(2,2-dimethylpropyl)-N,2-dimethyl-2-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 62260878

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N,2-dimethyl-2-phenyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N-butan-2-yl-N,2-dimethyl-2-phenyl-N'-propylpropane-1,3-diamine (CID 62263083) is N-butan-2-yl-N,2-dimethyl-2-phenyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N-butan-2-yl-N,2-dimethyl-2-phenyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N-butan-2-yl-N,2-dimethyl-2-phenyl-N'-propylpropane-1,3-diamine is CCCNCC(C)(CN(C)C(C)CC)c1ccccc1.
What is the InChIKey of N-butan-2-yl-N,2-dimethyl-2-phenyl-N'-propylpropane-1,3-diamine?
The InChIKey is KHQNAMAASNGSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-6-13-19-14-18(4,15-20(5)16(3)7-2)17-11-9-8-10-12-17/h8-12,16,19H,6-7,13-15H2,1-5H3.
What are the key properties of N-butan-2-yl-N,2-dimethyl-2-phenyl-N'-propylpropane-1,3-diamine?
N-butan-2-yl-N,2-dimethyl-2-phenyl-N'-propylpropane-1,3-diamine has a molecular weight of 276.47 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N,2-dimethyl-2-phenyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 62263083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).