3-methyl-1-[3-[(4-methylcyclohexyl)methyl]imidazol-4-yl]butan-1-amine

C16H29N3 — CID 114705901

IUPAC3-methyl-1-[3-[(4-methylcyclohexyl)methyl]imidazol-4-yl]butan-1-amine
SMILESCC(C)CC(N)c1cncn1CC1CCC(C)CC1
InChIInChI=1S/C16H29N3/c1-12(2)8-15(17)16-9-18-11-19(16)10-14-6-4-13(3)5-7-14/h9,11-15H,4-8,10,17H2,1-3H3
InChIKeyKXWWRRTWSKNUPA-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.76
Rot. Bonds5

About 3-methyl-1-[3-[(4-methylcyclohexyl)methyl]imidazol-4-yl]butan-1-amine

3-methyl-1-[3-[(4-methylcyclohexyl)methyl]imidazol-4-yl]butan-1-amine (PubChem CID 114705901) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 3-methyl-1-[3-[(4-methylcyclohexyl)methyl]imidazol-4-yl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-1-[3-[(4-methylcyclohexyl)methyl]imidazol-4-yl]butan-1-amine
PubChem CID114705901
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name3-methyl-1-[3-[(4-methylcyclohexyl)methyl]imidazol-4-yl]butan-1-amine
SMILESCC(C)CC(N)c1cncn1CC1CCC(C)CC1
InChIInChI=1S/C16H29N3/c1-12(2)8-15(17)16-9-18-11-19(16)10-14-6-4-13(3)5-7-14/h9,11-15H,4-8,10,17H2,1-3H3
InChIKeyKXWWRRTWSKNUPA-UHFFFAOYSA-N
XLogP3.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-[3-(cyclopropylmethyl)imidazol-4-yl]ethanol
CID 114703672
1-[3-(2-cyclopropylpropyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114707362
1-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114706506
3-methyl-1-[3-(oxan-2-ylmethyl)imidazol-4-yl]butan-1-amine
CID 114704529
3-methyl-1-[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]butan-1-amine
CID 114130068
(1S)-1-[3-(oxan-4-ylmethyl)imidazol-4-yl]ethanamine
CID 104943084
(1R)-1-[3-(oxan-4-ylmethyl)imidazol-4-yl]ethanamine
CID 104943087
N-[[3-[(4-methylcyclohexyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66150150
3-methyl-1-[3-(2-methylsulfinylethyl)imidazol-4-yl]butan-1-amine
CID 114707663
3-methyl-1-[3-(3-methylsulfanylpropyl)imidazol-4-yl]butan-1-amine
CID 114706133
3-methyl-1-(3-propan-2-ylimidazol-4-yl)butan-1-amine
CID 114703737
3-methyl-1-[3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]butan-1-amine
CID 114704584

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-[(4-methylcyclohexyl)methyl]imidazol-4-yl]butan-1-amine?
The IUPAC name of 3-methyl-1-[3-[(4-methylcyclohexyl)methyl]imidazol-4-yl]butan-1-amine (CID 114705901) is 3-methyl-1-[3-[(4-methylcyclohexyl)methyl]imidazol-4-yl]butan-1-amine.
What is the SMILES notation for 3-methyl-1-[3-[(4-methylcyclohexyl)methyl]imidazol-4-yl]butan-1-amine?
The canonical SMILES for 3-methyl-1-[3-[(4-methylcyclohexyl)methyl]imidazol-4-yl]butan-1-amine is CC(C)CC(N)c1cncn1CC1CCC(C)CC1.
What is the InChIKey of 3-methyl-1-[3-[(4-methylcyclohexyl)methyl]imidazol-4-yl]butan-1-amine?
The InChIKey is KXWWRRTWSKNUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-12(2)8-15(17)16-9-18-11-19(16)10-14-6-4-13(3)5-7-14/h9,11-15H,4-8,10,17H2,1-3H3.
What are the key properties of 3-methyl-1-[3-[(4-methylcyclohexyl)methyl]imidazol-4-yl]butan-1-amine?
3-methyl-1-[3-[(4-methylcyclohexyl)methyl]imidazol-4-yl]butan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-[(4-methylcyclohexyl)methyl]imidazol-4-yl]butan-1-amine is sourced from PubChem (CID 114705901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).