1-(aminomethyl)cycloheptan-1-amine

C8H18N2 — CID 21151

IUPAC1-(aminomethyl)cycloheptan-1-amine
SMILESNCC1(N)CCCCCC1
InChIInChI=1S/C8H18N2/c9-7-8(10)5-3-1-2-4-6-8/h1-7,9-10H2
InChIKeyNVOUFFPIQCIEDT-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.00
Rot. Bonds1

About 1-(aminomethyl)cycloheptan-1-amine

1-(aminomethyl)cycloheptan-1-amine (PubChem CID 21151) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 1-(aminomethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)cycloheptan-1-amine
PubChem CID21151
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name1-(aminomethyl)cycloheptan-1-amine
SMILESNCC1(N)CCCCCC1
InChIInChI=1S/C8H18N2/c9-7-8(10)5-3-1-2-4-6-8/h1-7,9-10H2
InChIKeyNVOUFFPIQCIEDT-UHFFFAOYSA-N
XLogP1.00
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Cycloheptylmethylamine
CID 78194
Cycloheptaneethylamine
CID 227405
3-Cycloheptylpropan-1-amine
CID 54064485
1-(Aminomethyl)cyclooctan-1-amine
CID 3062925
3,7-Dimethyloctane-1,7-diamine
CID 14008169
1-(5-Aminopentyl)cyclopentan-1-amine
CID 17775555
2-Octadecylicosane-1,2-diamine
CID 17787281
3-Butylheptane-2,3-diamine
CID 17802718
1-(Aminomethyl)cyclooctan-1-amine;platinum(2+)
CID 17845541
1-(Aminomethyl)cyclooctan-1-amine;dihydrochloride
CID 17860857
6-Ethyloctane-1,6-diamine
CID 17878094
2-(Aminomethyl)cycloheptan-1-amine
CID 17914357

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)cycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)cycloheptan-1-amine (CID 21151) is 1-(aminomethyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)cycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)cycloheptan-1-amine is NCC1(N)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)cycloheptan-1-amine?
The InChIKey is NVOUFFPIQCIEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c9-7-8(10)5-3-1-2-4-6-8/h1-7,9-10H2.
What are the key properties of 1-(aminomethyl)cycloheptan-1-amine?
1-(aminomethyl)cycloheptan-1-amine has a molecular weight of 142.25 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)cycloheptan-1-amine is sourced from PubChem (CID 21151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).