N-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methylhexan-2-amine

C18H29N3 — CID 105007782

IUPACN-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methylhexan-2-amine
SMILESCCCC(C)C(Cc1nc2ccccc2n1CC)NCC
InChIInChI=1S/C18H29N3/c1-5-10-14(4)16(19-6-2)13-18-20-15-11-8-9-12-17(15)21(18)7-3/h8-9,11-12,14,16,19H,5-7,10,13H2,1-4H3
InChIKeyXFXAPXUDZXRHNB-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.01
Rot. Bonds8

About N-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methylhexan-2-amine

N-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methylhexan-2-amine (PubChem CID 105007782) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methylhexan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methylhexan-2-amine
PubChem CID105007782
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methylhexan-2-amine
SMILESCCCC(C)C(Cc1nc2ccccc2n1CC)NCC
InChIInChI=1S/C18H29N3/c1-5-10-14(4)16(19-6-2)13-18-20-15-11-8-9-12-17(15)21(18)7-3/h8-9,11-12,14,16,19H,5-7,10,13H2,1-4H3
InChIKeyXFXAPXUDZXRHNB-UHFFFAOYSA-N
XLogP4.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(1-ethylbenzimidazol-2-yl)-1,1-difluoropropan-2-amine
CID 103516859
3-methyl-1-(1-methylbenzimidazol-2-yl)-N-propylhexan-2-amine
CID 105007682
3-(1-ethylbenzimidazol-2-yl)-1,1-difluoro-N-propylpropan-2-amine
CID 103516858
4-(1-ethylbenzimidazol-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81011531
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
N-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypropan-2-amine
CID 79751150
N,3-dimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-amine
CID 79751005
[1-(1-ethylbenzimidazol-2-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine
CID 105272000
N-[(1-ethylbenzimidazol-2-yl)methyl]-5-methylhexan-2-amine
CID 61020511
3-(1-ethylbenzimidazol-2-yl)-1,1,1-trifluoro-N-propylpropan-2-amine
CID 105007759
3-[(1-ethylbenzimidazol-2-yl)methylamino]butan-1-ol
CID 78998124
4-(1-ethylbenzimidazol-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 79750506

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methylhexan-2-amine?
The IUPAC name of N-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methylhexan-2-amine (CID 105007782) is N-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methylhexan-2-amine.
What is the SMILES notation for N-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methylhexan-2-amine?
The canonical SMILES for N-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methylhexan-2-amine is CCCC(C)C(Cc1nc2ccccc2n1CC)NCC.
What is the InChIKey of N-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methylhexan-2-amine?
The InChIKey is XFXAPXUDZXRHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-5-10-14(4)16(19-6-2)13-18-20-15-11-8-9-12-17(15)21(18)7-3/h8-9,11-12,14,16,19H,5-7,10,13H2,1-4H3.
What are the key properties of N-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methylhexan-2-amine?
N-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methylhexan-2-amine has a molecular weight of 287.45 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methylhexan-2-amine is sourced from PubChem (CID 105007782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).