N-[(3-aminocyclobutyl)methyl]-1-methylcyclohexan-1-amine

C12H24N2 — CID 164652550

IUPACN-[(3-aminocyclobutyl)methyl]-1-methylcyclohexan-1-amine
SMILESCC1(NCC2CC(N)C2)CCCCC1
InChIInChI=1S/C12H24N2/c1-12(5-3-2-4-6-12)14-9-10-7-11(13)8-10/h10-11,14H,2-9,13H2,1H3
InChIKeyMWEBZJPTMVANOQ-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.04
Rot. Bonds3

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

N-[(3-aminocyclobutyl)methyl]-1-methylcyclohexan-1-amine (PubChem CID 164652550) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-[(3-aminocyclobutyl)methyl]-1-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3-aminocyclobutyl)methyl]-1-methylcyclohexan-1-amine
PubChem CID164652550
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-[(3-aminocyclobutyl)methyl]-1-methylcyclohexan-1-amine
SMILESCC1(NCC2CC(N)C2)CCCCC1
InChIInChI=1S/C12H24N2/c1-12(5-3-2-4-6-12)14-9-10-7-11(13)8-10/h10-11,14H,2-9,13H2,1H3
InChIKeyMWEBZJPTMVANOQ-UHFFFAOYSA-N
XLogP2.04
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-(cyclododecylmethyl)-1,6-dimethylcycloundecan-1-amine
CID 70802853
4-[[(1-methylcyclopentyl)amino]methyl]cyclopent-2-en-1-amine
CID 79207657
1-methyl-N-[(4-methylcyclohexyl)methyl]cyclobutan-1-amine
CID 115868570
1-methyl-N-(oxan-3-ylmethyl)cyclopentan-1-amine
CID 63739507
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylcyclohexan-1-amine
CID 116521368
N'-(1-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine
CID 65233135
N-[(4-ethylpiperidin-2-yl)methyl]-1-methylcyclopentan-1-amine
CID 114431221
4-methyl-4-[[(1-methylcyclopentyl)amino]methyl]oxolan-3-amine
CID 66263653
N-[(2,2-difluorocyclopropyl)methyl]-1-methylcyclobutan-1-amine
CID 170967540
N-(cyclopropylmethyl)-3-methyloxan-3-amine
CID 103897448
4-methyl-N-(oxan-4-ylmethyl)oxan-4-amine
CID 115758099
2-ethyl-1-N-(1-methylcyclohexyl)butane-1,2-diamine
CID 79812479

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclobutyl)methyl]-1-methylcyclohexan-1-amine?
The IUPAC name of N-[(3-aminocyclobutyl)methyl]-1-methylcyclohexan-1-amine (CID 164652550) is N-[(3-aminocyclobutyl)methyl]-1-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(3-aminocyclobutyl)methyl]-1-methylcyclohexan-1-amine?
The canonical SMILES for N-[(3-aminocyclobutyl)methyl]-1-methylcyclohexan-1-amine is CC1(NCC2CC(N)C2)CCCCC1.
What is the InChIKey of N-[(3-aminocyclobutyl)methyl]-1-methylcyclohexan-1-amine?
The InChIKey is MWEBZJPTMVANOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-12(5-3-2-4-6-12)14-9-10-7-11(13)8-10/h10-11,14H,2-9,13H2,1H3.
What are the key properties of N-[(3-aminocyclobutyl)methyl]-1-methylcyclohexan-1-amine?
N-[(3-aminocyclobutyl)methyl]-1-methylcyclohexan-1-amine has a molecular weight of 196.34 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclobutyl)methyl]-1-methylcyclohexan-1-amine is sourced from PubChem (CID 164652550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).