N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-propylcyclohexan-1-amine

C18H33N3 — CID 43749450

IUPACN-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC(Cn2ccnc2)C(C)(C)C)CC1
InChIInChI=1S/C18H33N3/c1-5-6-15-7-9-16(10-8-15)20-17(18(2,3)4)13-21-12-11-19-14-21/h11-12,14-17,20H,5-10,13H2,1-4H3
InChIKeyVFHMVHNIZJHEDP-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.25
Rot. Bonds6

About N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-propylcyclohexan-1-amine

N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-propylcyclohexan-1-amine (PubChem CID 43749450) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-propylcyclohexan-1-amine
PubChem CID43749450
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NC(Cn2ccnc2)C(C)(C)C)CC1
InChIInChI=1S/C18H33N3/c1-5-6-15-7-9-16(10-8-15)20-17(18(2,3)4)13-21-12-11-19-14-21/h11-12,14-17,20H,5-10,13H2,1-4H3
InChIKeyVFHMVHNIZJHEDP-UHFFFAOYSA-N
XLogP4.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylcyclobutan-1-amine
CID 104859696
N-(1-imidazol-1-ylpropan-2-yl)-4-propylcycloheptan-1-amine
CID 65091735
N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-2,3-dihydro-1H-inden-2-amine
CID 93276734
1-imidazol-1-yl-3,3-dimethyl-N-propylbutan-2-amine
CID 43749580
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methylcyclohexan-1-amine
CID 43749491
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methyloxolan-3-amine
CID 113289616
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853293
1-imidazol-1-yl-3,3-dimethyl-N-(3-methylpentan-2-yl)butan-2-amine
CID 43749439
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methylsulfonylcyclopentan-1-amine
CID 65044347
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466320
2-(cyclopentylamino)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide
CID 60846927
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2,5-trimethylpiperidin-4-amine
CID 43749574

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-propylcyclohexan-1-amine?
The IUPAC name of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-propylcyclohexan-1-amine (CID 43749450) is N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-propylcyclohexan-1-amine?
The canonical SMILES for N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-propylcyclohexan-1-amine is CCCC1CCC(NC(Cn2ccnc2)C(C)(C)C)CC1.
What is the InChIKey of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-propylcyclohexan-1-amine?
The InChIKey is VFHMVHNIZJHEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-5-6-15-7-9-16(10-8-15)20-17(18(2,3)4)13-21-12-11-19-14-21/h11-12,14-17,20H,5-10,13H2,1-4H3.
What are the key properties of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-propylcyclohexan-1-amine?
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-propylcyclohexan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 43749450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).