3,3-dimethyl-2-(2-propylbenzimidazol-1-yl)butan-1-amine

C16H25N3 — CID 112632091

IUPAC3,3-dimethyl-2-(2-propylbenzimidazol-1-yl)butan-1-amine
SMILESCCCc1nc2ccccc2n1C(CN)C(C)(C)C
InChIInChI=1S/C16H25N3/c1-5-8-15-18-12-9-6-7-10-13(12)19(15)14(11-17)16(2,3)4/h6-7,9-10,14H,5,8,11,17H2,1-4H3
InChIKeyAJXAYSWOTHQQPC-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.53
Rot. Bonds4

About 3,3-dimethyl-2-(2-propylbenzimidazol-1-yl)butan-1-amine

3,3-dimethyl-2-(2-propylbenzimidazol-1-yl)butan-1-amine (PubChem CID 112632091) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 3,3-dimethyl-2-(2-propylbenzimidazol-1-yl)butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-2-(2-propylbenzimidazol-1-yl)butan-1-amine
PubChem CID112632091
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name3,3-dimethyl-2-(2-propylbenzimidazol-1-yl)butan-1-amine
SMILESCCCc1nc2ccccc2n1C(CN)C(C)(C)C
InChIInChI=1S/C16H25N3/c1-5-8-15-18-12-9-6-7-10-13(12)19(15)14(11-17)16(2,3)4/h6-7,9-10,14H,5,8,11,17H2,1-4H3
InChIKeyAJXAYSWOTHQQPC-UHFFFAOYSA-N
XLogP3.53
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4,4-dimethyl-2-(2-propylbenzimidazol-1-yl)pentan-1-ol
CID 114357790
2-(2-butylbenzimidazol-1-yl)propan-1-amine
CID 82144544
1,1,1-trifluoro-2-(2-propylbenzimidazol-1-yl)pentan-3-amine
CID 115970648
3,3-dimethyl-1-(2-propylbenzimidazol-1-yl)butan-2-amine
CID 112632168
2-(5-methylthiophen-2-yl)-2-(2-propylbenzimidazol-1-yl)ethanamine
CID 115970610
2-(3-methylthiophen-2-yl)-2-(2-propylbenzimidazol-1-yl)ethanamine
CID 115970638
N-methyl-2-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 112632401
N-ethyl-2-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 112632434
(2S)-2-(2-propylbenzimidazol-1-yl)propanoic acid
CID 7424145
ethyl 2-(2-propylbenzimidazol-1-yl)butanoate
CID 115970669
2-[1-[(2R)-butan-2-yl]benzimidazol-2-yl]ethanamine
CID 51970586
N'-hydroxy-3-(2-propylbenzimidazol-1-yl)pentanimidamide
CID 115970772

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(2-propylbenzimidazol-1-yl)butan-1-amine?
The IUPAC name of 3,3-dimethyl-2-(2-propylbenzimidazol-1-yl)butan-1-amine (CID 112632091) is 3,3-dimethyl-2-(2-propylbenzimidazol-1-yl)butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-2-(2-propylbenzimidazol-1-yl)butan-1-amine?
The canonical SMILES for 3,3-dimethyl-2-(2-propylbenzimidazol-1-yl)butan-1-amine is CCCc1nc2ccccc2n1C(CN)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-2-(2-propylbenzimidazol-1-yl)butan-1-amine?
The InChIKey is AJXAYSWOTHQQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-5-8-15-18-12-9-6-7-10-13(12)19(15)14(11-17)16(2,3)4/h6-7,9-10,14H,5,8,11,17H2,1-4H3.
What are the key properties of 3,3-dimethyl-2-(2-propylbenzimidazol-1-yl)butan-1-amine?
3,3-dimethyl-2-(2-propylbenzimidazol-1-yl)butan-1-amine has a molecular weight of 259.40 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(2-propylbenzimidazol-1-yl)butan-1-amine is sourced from PubChem (CID 112632091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).