N-[(3-cyclopropylimidazol-4-yl)methyl]-4,4-dimethylcyclohexan-1-amine

C15H25N3 — CID 66139617

IUPACN-[(3-cyclopropylimidazol-4-yl)methyl]-4,4-dimethylcyclohexan-1-amine
SMILESCC1(C)CCC(NCc2cncn2C2CC2)CC1
InChIInChI=1S/C15H25N3/c1-15(2)7-5-12(6-8-15)17-10-14-9-16-11-18(14)13-3-4-13/h9,11-13,17H,3-8,10H2,1-2H3
InChIKeyHHPQRHWBOHSNRY-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.28
Rot. Bonds4

About N-[(3-cyclopropylimidazol-4-yl)methyl]-4,4-dimethylcyclohexan-1-amine

N-[(3-cyclopropylimidazol-4-yl)methyl]-4,4-dimethylcyclohexan-1-amine (PubChem CID 66139617) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-[(3-cyclopropylimidazol-4-yl)methyl]-4,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3-cyclopropylimidazol-4-yl)methyl]-4,4-dimethylcyclohexan-1-amine
PubChem CID66139617
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-[(3-cyclopropylimidazol-4-yl)methyl]-4,4-dimethylcyclohexan-1-amine
SMILESCC1(C)CCC(NCc2cncn2C2CC2)CC1
InChIInChI=1S/C15H25N3/c1-15(2)7-5-12(6-8-15)17-10-14-9-16-11-18(14)13-3-4-13/h9,11-13,17H,3-8,10H2,1-2H3
InChIKeyHHPQRHWBOHSNRY-UHFFFAOYSA-N
XLogP3.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 86820592
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CID 91839083
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CID 119110237
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CID 124554059
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CID 67009950
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CID 55109169
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CID 55114840
CID 55114840

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-4,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-4,4-dimethylcyclohexan-1-amine (CID 66139617) is N-[(3-cyclopropylimidazol-4-yl)methyl]-4,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(3-cyclopropylimidazol-4-yl)methyl]-4,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(3-cyclopropylimidazol-4-yl)methyl]-4,4-dimethylcyclohexan-1-amine is CC1(C)CCC(NCc2cncn2C2CC2)CC1.
What is the InChIKey of N-[(3-cyclopropylimidazol-4-yl)methyl]-4,4-dimethylcyclohexan-1-amine?
The InChIKey is HHPQRHWBOHSNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-15(2)7-5-12(6-8-15)17-10-14-9-16-11-18(14)13-3-4-13/h9,11-13,17H,3-8,10H2,1-2H3.
What are the key properties of N-[(3-cyclopropylimidazol-4-yl)methyl]-4,4-dimethylcyclohexan-1-amine?
N-[(3-cyclopropylimidazol-4-yl)methyl]-4,4-dimethylcyclohexan-1-amine has a molecular weight of 247.39 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylimidazol-4-yl)methyl]-4,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 66139617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).