4-[(cyclobutylmethylamino)methyl]cyclohexan-1-amine

C12H24N2 — CID 115213461

IUPAC4-[(cyclobutylmethylamino)methyl]cyclohexan-1-amine
SMILESNC1CCC(CNCC2CCC2)CC1
InChIInChI=1S/C12H24N2/c13-12-6-4-11(5-7-12)9-14-8-10-2-1-3-10/h10-12,14H,1-9,13H2
InChIKeyQAIURUZOOSMSDY-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.89
Rot. Bonds4

About 4-[(cyclobutylmethylamino)methyl]cyclohexan-1-amine

4-[(cyclobutylmethylamino)methyl]cyclohexan-1-amine (PubChem CID 115213461) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 4-[(cyclobutylmethylamino)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(cyclobutylmethylamino)methyl]cyclohexan-1-amine
PubChem CID115213461
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name4-[(cyclobutylmethylamino)methyl]cyclohexan-1-amine
SMILESNC1CCC(CNCC2CCC2)CC1
InChIInChI=1S/C12H24N2/c13-12-6-4-11(5-7-12)9-14-8-10-2-1-3-10/h10-12,14H,1-9,13H2
InChIKeyQAIURUZOOSMSDY-UHFFFAOYSA-N
XLogP1.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(cyclopentylmethylamino)methyl]cyclohexan-1-amine
CID 115213454
1-cyclobutyl-N-(cyclobutylmethyl)methanamine
CID 54206114
1-cyclobutyl-N-(cyclobutylmethyl)methanamine;hydrochloride
CID 134690905
2-(4-aminocyclohexyl)-N-(cyclopentylmethyl)acetamide
CID 62782345
1-cyclobutyl-N-(hydrazinylmethyl)methanamine
CID 115260885
4-[(propan-2-ylamino)methyl]cyclohexan-1-amine
CID 18722066
4-(cyclopentylmethyl)cyclohexan-1-amine
CID 3523250
4-N-(cyclopentylmethyl)cyclohexane-1,4-diamine;dihydrochloride
CID 86277318
N-(cyclobutylmethyl)ethanamine;ethane
CID 171530006
N-[(4-aminocyclohexyl)methyl]-3-cyclohexylpropanamide
CID 106124035
cyclobutylmethylhydrazine;dihydrochloride
CID 56604638
N-(cyclopropylmethyl)-1-(4-methylcyclohexyl)methanamine
CID 63001385

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclobutylmethylamino)methyl]cyclohexan-1-amine?
The IUPAC name of 4-[(cyclobutylmethylamino)methyl]cyclohexan-1-amine (CID 115213461) is 4-[(cyclobutylmethylamino)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[(cyclobutylmethylamino)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[(cyclobutylmethylamino)methyl]cyclohexan-1-amine is NC1CCC(CNCC2CCC2)CC1.
What is the InChIKey of 4-[(cyclobutylmethylamino)methyl]cyclohexan-1-amine?
The InChIKey is QAIURUZOOSMSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c13-12-6-4-11(5-7-12)9-14-8-10-2-1-3-10/h10-12,14H,1-9,13H2.
What are the key properties of 4-[(cyclobutylmethylamino)methyl]cyclohexan-1-amine?
4-[(cyclobutylmethylamino)methyl]cyclohexan-1-amine has a molecular weight of 196.34 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclobutylmethylamino)methyl]cyclohexan-1-amine is sourced from PubChem (CID 115213461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).