1-(1-ethylimidazol-2-yl)-N-propylnonan-2-amine

C17H33N3 — CID 105009255

IUPAC1-(1-ethylimidazol-2-yl)-N-propylnonan-2-amine
SMILESCCCCCCCC(Cc1nccn1CC)NCCC
InChIInChI=1S/C17H33N3/c1-4-7-8-9-10-11-16(18-12-5-2)15-17-19-13-14-20(17)6-3/h13-14,16,18H,4-12,15H2,1-3H3
InChIKeyJYBRZVOMHQUTSJ-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.17
Rot. Bonds12

About 1-(1-ethylimidazol-2-yl)-N-propylnonan-2-amine

1-(1-ethylimidazol-2-yl)-N-propylnonan-2-amine (PubChem CID 105009255) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-N-propylnonan-2-amine.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-N-propylnonan-2-amine
PubChem CID105009255
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name1-(1-ethylimidazol-2-yl)-N-propylnonan-2-amine
SMILESCCCCCCCC(Cc1nccn1CC)NCCC
InChIInChI=1S/C17H33N3/c1-4-7-8-9-10-11-16(18-12-5-2)15-17-19-13-14-20(17)6-3/h13-14,16,18H,4-12,15H2,1-3H3
InChIKeyJYBRZVOMHQUTSJ-UHFFFAOYSA-N
XLogP4.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.17
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-propyl-1-(1-propylimidazol-2-yl)heptan-2-amine
CID 105012472
N-ethyl-1-(1-ethylimidazol-2-yl)hexan-2-amine
CID 79761292
1-N,1-N-diethyl-4-(1-ethylimidazol-2-yl)-3-N-propylbutane-1,3-diamine
CID 79760507
1-(1-ethylimidazol-2-yl)undecan-2-amine
CID 105009322
1-(1-ethylimidazol-2-yl)-3-propoxy-N-propylpropan-2-amine
CID 79752808
5-methoxy-N-propyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79761113
1-(1-ethylimidazol-2-yl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103028538
N-propyl-1-(2-propyl-1,2,4-triazol-3-yl)nonan-2-amine
CID 105003076
1-methylsulfonyl-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 105012195
N-ethyl-1-(1-ethylimidazol-2-yl)-5-phenylpentan-2-amine
CID 105165971
N-ethyl-1-(1-ethylimidazol-2-yl)-4-methoxybutan-2-amine
CID 79751583
5-methoxy-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine
CID 79760856

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-N-propylnonan-2-amine?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-N-propylnonan-2-amine (CID 105009255) is 1-(1-ethylimidazol-2-yl)-N-propylnonan-2-amine.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-N-propylnonan-2-amine?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-N-propylnonan-2-amine is CCCCCCCC(Cc1nccn1CC)NCCC.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-N-propylnonan-2-amine?
The InChIKey is JYBRZVOMHQUTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-4-7-8-9-10-11-16(18-12-5-2)15-17-19-13-14-20(17)6-3/h13-14,16,18H,4-12,15H2,1-3H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-N-propylnonan-2-amine?
1-(1-ethylimidazol-2-yl)-N-propylnonan-2-amine has a molecular weight of 279.47 g/mol, XLogP of 4.17, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-N-propylnonan-2-amine is sourced from PubChem (CID 105009255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).