N-methyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine

C14H21N3 — CID 43152019

IUPACN-methyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
SMILESCNCCCc1nc2ccccc2n1C(C)C
InChIInChI=1S/C14H21N3/c1-11(2)17-13-8-5-4-7-12(13)16-14(17)9-6-10-15-3/h4-5,7-8,11,15H,6,9-10H2,1-3H3
InChIKeyHWEWQIXUVUJINA-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.77
Rot. Bonds5

About N-methyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine

N-methyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine (PubChem CID 43152019) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-methyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
PubChem CID43152019
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN-methyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
SMILESCNCCCc1nc2ccccc2n1C(C)C
InChIInChI=1S/C14H21N3/c1-11(2)17-13-8-5-4-7-12(13)16-14(17)9-6-10-15-3/h4-5,7-8,11,15H,6,9-10H2,1-3H3
InChIKeyHWEWQIXUVUJINA-UHFFFAOYSA-N
XLogP2.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 60834225
N,N-dimethyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 170866849
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]aniline
CID 60835042
3-(1-tert-butylbenzimidazol-2-yl)-N-methylpropan-1-amine
CID 43152020
2-[(4-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazole
CID 5016671
N-methyl-2-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 112632401
1-(1-propan-2-ylbenzimidazol-2-yl)propan-2-amine
CID 43171099
N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline
CID 60835044
N-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
CID 79750802
2-(1-propan-2-ylbenzimidazol-2-yl)acetonitrile
CID 55247145
N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 751074
[2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]phenyl]methanamine
CID 81312674

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine (CID 43152019) is N-methyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine is CNCCCc1nc2ccccc2n1C(C)C.
What is the InChIKey of N-methyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine?
The InChIKey is HWEWQIXUVUJINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-11(2)17-13-8-5-4-7-12(13)16-14(17)9-6-10-15-3/h4-5,7-8,11,15H,6,9-10H2,1-3H3.
What are the key properties of N-methyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine?
N-methyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 43152019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).