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

C13H28N2 — CID 115444997

IUPACN-[[1-(aminomethyl)cycloheptyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(CN)CCCCCC1
InChIInChI=1S/C13H28N2/c1-12(2)9-15-11-13(10-14)7-5-3-4-6-8-13/h12,15H,3-11,14H2,1-2H3
InChIKeyAPVSWCCVPJOLGQ-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.53
Rot. Bonds5

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

N-[[1-(aminomethyl)cycloheptyl]methyl]-2-methylpropan-1-amine (PubChem CID 115444997) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cycloheptyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cycloheptyl]methyl]-2-methylpropan-1-amine
PubChem CID115444997
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-[[1-(aminomethyl)cycloheptyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(CN)CCCCCC1
InChIInChI=1S/C13H28N2/c1-12(2)9-15-11-13(10-14)7-5-3-4-6-8-13/h12,15H,3-11,14H2,1-2H3
InChIKeyAPVSWCCVPJOLGQ-UHFFFAOYSA-N
XLogP2.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]cyclobutyl]methanamine
CID 113311851
2-methyl-N-[(1-propylcyclobutyl)methyl]propan-1-amine
CID 65196170
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,3-dimethylbutan-1-amine
CID 115453904
N-[[1-(ethoxymethyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 103984513
N-[(1-fluorocyclohexyl)methyl]-2-methylpropan-1-amine
CID 126847938
N-[[1-(aminomethyl)cyclohexyl]methyl]butan-2-amine
CID 115438135
N-[[1-(aminomethyl)cyclobutyl]methyl]-7-methyloctan-1-amine
CID 107815647
N-[[1-(cyclopentylmethyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65196171
N,2-dimethyl-N-[[1-[(2-methylpropylamino)methyl]cyclohexyl]methyl]butan-2-amine
CID 63964541
2-methyl-N-[[1-[[methyl(2-methylsulfanylethyl)amino]methyl]cycloheptyl]methyl]propan-1-amine
CID 115987410
N-[[1-(3-ethylsulfonylpropyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 65097230
2-methyl-N-[(1-methylcyclobutyl)methyl]propan-1-amine
CID 65196169

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cycloheptyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(aminomethyl)cycloheptyl]methyl]-2-methylpropan-1-amine (CID 115444997) is N-[[1-(aminomethyl)cycloheptyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(aminomethyl)cycloheptyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(aminomethyl)cycloheptyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1(CN)CCCCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cycloheptyl]methyl]-2-methylpropan-1-amine?
The InChIKey is APVSWCCVPJOLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-12(2)9-15-11-13(10-14)7-5-3-4-6-8-13/h12,15H,3-11,14H2,1-2H3.
What are the key properties of N-[[1-(aminomethyl)cycloheptyl]methyl]-2-methylpropan-1-amine?
N-[[1-(aminomethyl)cycloheptyl]methyl]-2-methylpropan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cycloheptyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 115444997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).