4,5,5-trimethyl-N-propyl-1-(1-propylimidazol-2-yl)hexan-2-amine

C18H35N3 — CID 105012491

IUPAC4,5,5-trimethyl-N-propyl-1-(1-propylimidazol-2-yl)hexan-2-amine
SMILESCCCNC(Cc1nccn1CCC)CC(C)C(C)(C)C
InChIInChI=1S/C18H35N3/c1-7-9-19-16(13-15(3)18(4,5)6)14-17-20-10-12-21(17)11-8-2/h10,12,15-16,19H,7-9,11,13-14H2,1-6H3
InChIKeyRGPXMTLXZYRZHY-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.28
Rot. Bonds9

About 4,5,5-trimethyl-N-propyl-1-(1-propylimidazol-2-yl)hexan-2-amine

4,5,5-trimethyl-N-propyl-1-(1-propylimidazol-2-yl)hexan-2-amine (PubChem CID 105012491) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 4,5,5-trimethyl-N-propyl-1-(1-propylimidazol-2-yl)hexan-2-amine.

Molecular Properties

Compound Name4,5,5-trimethyl-N-propyl-1-(1-propylimidazol-2-yl)hexan-2-amine
PubChem CID105012491
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name4,5,5-trimethyl-N-propyl-1-(1-propylimidazol-2-yl)hexan-2-amine
SMILESCCCNC(Cc1nccn1CCC)CC(C)C(C)(C)C
InChIInChI=1S/C18H35N3/c1-7-9-19-16(13-15(3)18(4,5)6)14-17-20-10-12-21(17)11-8-2/h10,12,15-16,19H,7-9,11,13-14H2,1-6H3
InChIKeyRGPXMTLXZYRZHY-UHFFFAOYSA-N
XLogP4.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 79753036
N-propyl-1-(1-propylimidazol-2-yl)heptan-2-amine
CID 105012472
N,4-dimethyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79752057
1-methylsulfonyl-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 105012195
4-cyclopentyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 105012343
N-propyl-1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215840
5-methoxy-N-propyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79761113
N-propyl-1-(1-propylimidazol-2-yl)-3-pyridin-2-ylpropan-2-amine
CID 79752625
N-ethyl-3,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 79752910
1-(1-ethylimidazol-2-yl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103028538
1,1-dimethoxy-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79760658
[1-propan-2-ylsulfanyl-3-(1-propylimidazol-2-yl)propan-2-yl]hydrazine
CID 105226247

Frequently Asked Questions

What is the IUPAC name of 4,5,5-trimethyl-N-propyl-1-(1-propylimidazol-2-yl)hexan-2-amine?
The IUPAC name of 4,5,5-trimethyl-N-propyl-1-(1-propylimidazol-2-yl)hexan-2-amine (CID 105012491) is 4,5,5-trimethyl-N-propyl-1-(1-propylimidazol-2-yl)hexan-2-amine.
What is the SMILES notation for 4,5,5-trimethyl-N-propyl-1-(1-propylimidazol-2-yl)hexan-2-amine?
The canonical SMILES for 4,5,5-trimethyl-N-propyl-1-(1-propylimidazol-2-yl)hexan-2-amine is CCCNC(Cc1nccn1CCC)CC(C)C(C)(C)C.
What is the InChIKey of 4,5,5-trimethyl-N-propyl-1-(1-propylimidazol-2-yl)hexan-2-amine?
The InChIKey is RGPXMTLXZYRZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-7-9-19-16(13-15(3)18(4,5)6)14-17-20-10-12-21(17)11-8-2/h10,12,15-16,19H,7-9,11,13-14H2,1-6H3.
What are the key properties of 4,5,5-trimethyl-N-propyl-1-(1-propylimidazol-2-yl)hexan-2-amine?
4,5,5-trimethyl-N-propyl-1-(1-propylimidazol-2-yl)hexan-2-amine has a molecular weight of 293.50 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5-trimethyl-N-propyl-1-(1-propylimidazol-2-yl)hexan-2-amine is sourced from PubChem (CID 105012491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).