N-[di(cyclobutyl)methyl]-3-methylcyclohexan-1-amine

C16H29N — CID 112743180

IUPACN-[di(cyclobutyl)methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NC(C2CCC2)C2CCC2)C1
InChIInChI=1S/C16H29N/c1-12-5-2-10-15(11-12)17-16(13-6-3-7-13)14-8-4-9-14/h12-17H,2-11H2,1H3
InChIKeyPSKXEPGWDGBNNM-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.12
Rot. Bonds4

About N-[di(cyclobutyl)methyl]-3-methylcyclohexan-1-amine

N-[di(cyclobutyl)methyl]-3-methylcyclohexan-1-amine (PubChem CID 112743180) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is N-[di(cyclobutyl)methyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[di(cyclobutyl)methyl]-3-methylcyclohexan-1-amine
PubChem CID112743180
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC NameN-[di(cyclobutyl)methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NC(C2CCC2)C2CCC2)C1
InChIInChI=1S/C16H29N/c1-12-5-2-10-15(11-12)17-16(13-6-3-7-13)14-8-4-9-14/h12-17H,2-11H2,1H3
InChIKeyPSKXEPGWDGBNNM-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-cyclohexylethyl)-3-methylcyclohexan-1-amine
CID 43775460
ethane;N-(3-methylcyclohexyl)formamide
CID 145231025
N,3-dimethylcyclohexan-1-amine
CID 16771259
trans-(1R,3R)-3-methyl-N-[(1S,3S)-3-methylcyclohexyl]cyclohexan-1-amine
CID 99646097
[cyclobutyl-(3-methylcyclohexyl)methyl]hydrazine
CID 105210413
(2S)-2-[[(1S,3S)-3-methylcyclohexyl]amino]propan-1-ol
CID 93082959
N,3-dimethylcyclohexan-1-amine;hydrochloride
CID 45286057
3-methyl-N-(5-methylhexan-2-yl)cyclohexan-1-amine
CID 43079319
1-cycloheptyl-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 65399795
trans-(1S,3S)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 58394445
(1R)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 58394376
N-[cyclopentyl-(3-methylcyclohexyl)methyl]ethanamine
CID 63415340

Frequently Asked Questions

What is the IUPAC name of N-[di(cyclobutyl)methyl]-3-methylcyclohexan-1-amine?
The IUPAC name of N-[di(cyclobutyl)methyl]-3-methylcyclohexan-1-amine (CID 112743180) is N-[di(cyclobutyl)methyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for N-[di(cyclobutyl)methyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for N-[di(cyclobutyl)methyl]-3-methylcyclohexan-1-amine is CC1CCCC(NC(C2CCC2)C2CCC2)C1.
What is the InChIKey of N-[di(cyclobutyl)methyl]-3-methylcyclohexan-1-amine?
The InChIKey is PSKXEPGWDGBNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-12-5-2-10-15(11-12)17-16(13-6-3-7-13)14-8-4-9-14/h12-17H,2-11H2,1H3.
What are the key properties of N-[di(cyclobutyl)methyl]-3-methylcyclohexan-1-amine?
N-[di(cyclobutyl)methyl]-3-methylcyclohexan-1-amine has a molecular weight of 235.41 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[di(cyclobutyl)methyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 112743180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).