N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]cyclobutanamine

C13H26N2 — CID 115442724

IUPACN-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]cyclobutanamine
SMILESCC1CCC(CN)(CNC2CCC2)CC1
InChIInChI=1S/C13H26N2/c1-11-5-7-13(9-14,8-6-11)10-15-12-3-2-4-12/h11-12,15H,2-10,14H2,1H3
InChIKeyFPFRQRSMXGFAAA-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.28
Rot. Bonds4

About N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]cyclobutanamine

N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]cyclobutanamine (PubChem CID 115442724) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]cyclobutanamine
PubChem CID115442724
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]cyclobutanamine
SMILESCC1CCC(CN)(CNC2CCC2)CC1
InChIInChI=1S/C13H26N2/c1-11-5-7-13(9-14,8-6-11)10-15-12-3-2-4-12/h11-12,15H,2-10,14H2,1H3
InChIKeyFPFRQRSMXGFAAA-UHFFFAOYSA-N
XLogP2.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-3-methylcyclopentan-1-amine
CID 114547350
[4-methyl-1-(methylaminomethyl)cyclohexyl]methanamine
CID 115442703
1-[(cyclobutylamino)methyl]-4-methylcyclohexan-1-ol
CID 65115377
[1-[(2,6-dimethylpiperidin-1-yl)methyl]-4-methylcyclohexyl]methanamine
CID 113310568
N-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 115561867
N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106219112
N-[[1-(aminomethyl)cyclopropyl]methyl]-3,3-dimethylcyclopentan-1-amine
CID 114547571
[(1S)-1-ethyl-3-methylcyclopentyl]methanamine
CID 142068635
N-[(1-ethylcyclopropyl)methyl]-3-methylcyclohexan-1-amine;hydrochloride
CID 115680355
1-[(cyclopropylamino)methyl]-4-methylcycloheptan-1-ol
CID 65082633
(4-methyl-1-prop-2-ynylcyclohexyl)methanamine
CID 126977400
N-[(1-propylcyclopropyl)methyl]cyclohexanamine
CID 115696304

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]cyclobutanamine?
The IUPAC name of N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]cyclobutanamine (CID 115442724) is N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]cyclobutanamine.
What is the SMILES notation for N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]cyclobutanamine?
The canonical SMILES for N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]cyclobutanamine is CC1CCC(CN)(CNC2CCC2)CC1.
What is the InChIKey of N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]cyclobutanamine?
The InChIKey is FPFRQRSMXGFAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-11-5-7-13(9-14,8-6-11)10-15-12-3-2-4-12/h11-12,15H,2-10,14H2,1H3.
What are the key properties of N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]cyclobutanamine?
N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]cyclobutanamine has a molecular weight of 210.36 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]cyclobutanamine is sourced from PubChem (CID 115442724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).