N-[[1-(aminomethyl)cyclopropyl]methyl]-2-cyclobutyl-2-methylpropan-1-amine

C13H26N2 — CID 115244471

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-2-cyclobutyl-2-methylpropan-1-amine
SMILESCC(C)(CNCC1(CN)CC1)C1CCC1
InChIInChI=1S/C13H26N2/c1-12(2,11-4-3-5-11)9-15-10-13(8-14)6-7-13/h11,15H,3-10,14H2,1-2H3
InChIKeyQKMYKQAOHUNZGF-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.14
Rot. Bonds6

About N-[[1-(aminomethyl)cyclopropyl]methyl]-2-cyclobutyl-2-methylpropan-1-amine

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-cyclobutyl-2-methylpropan-1-amine (PubChem CID 115244471) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-cyclobutyl-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-cyclobutyl-2-methylpropan-1-amine
PubChem CID115244471
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-cyclobutyl-2-methylpropan-1-amine
SMILESCC(C)(CNCC1(CN)CC1)C1CCC1
InChIInChI=1S/C13H26N2/c1-12(2,11-4-3-5-11)9-15-10-13(8-14)6-7-13/h11,15H,3-10,14H2,1-2H3
InChIKeyQKMYKQAOHUNZGF-UHFFFAOYSA-N
XLogP2.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(1-methylpiperidin-3-yl)propan-1-amine
CID 115244469
1-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclopropan-1-amine
CID 115257163
1-[[(2-cyclobutyl-2-methylpropyl)amino]methyl]cyclopropane-1-carbonitrile
CID 115242689
N-[[1-(aminomethyl)cyclobutyl]methyl]-2,2,3,3-tetramethylbutan-1-amine
CID 115245990
N'-(2-cyclopentyl-2-methylpropyl)-2,2-dimethylpropane-1,3-diamine
CID 115200319
2-cyclobutyl-N-(hydrazinylmethyl)-2-methylpropan-1-amine
CID 115261517
1-[[(2-cyclohexyl-2-methylpropyl)amino]methyl]cyclopropane-1-carbonitrile
CID 115242683
1-N-(2-cyclopentyl-2-methylpropyl)-2-methylpropane-1,2-diamine
CID 115136380
N-[[1-(aminomethyl)cyclopropyl]methyl]-3,3-dimethylbutan-1-amine
CID 115244264
3-N-(2-cyclobutyl-2-methylpropyl)-3-methylbutane-1,3-diamine
CID 115135098
N'-(2-cyclopentyl-2-methylpropyl)-2-methylpropane-1,3-diamine
CID 115198967
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 106293810

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-cyclobutyl-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-cyclobutyl-2-methylpropan-1-amine (CID 115244471) is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-cyclobutyl-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-cyclobutyl-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-cyclobutyl-2-methylpropan-1-amine is CC(C)(CNCC1(CN)CC1)C1CCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-cyclobutyl-2-methylpropan-1-amine?
The InChIKey is QKMYKQAOHUNZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-12(2,11-4-3-5-11)9-15-10-13(8-14)6-7-13/h11,15H,3-10,14H2,1-2H3.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-cyclobutyl-2-methylpropan-1-amine?
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-cyclobutyl-2-methylpropan-1-amine has a molecular weight of 210.36 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-cyclobutyl-2-methylpropan-1-amine is sourced from PubChem (CID 115244471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).