2-[[cycloheptyl(methyl)amino]methyl]cycloheptan-1-amine

C16H32N2 — CID 62614703

IUPAC2-[[cycloheptyl(methyl)amino]methyl]cycloheptan-1-amine
SMILESCN(CC1CCCCCC1N)C1CCCCCC1
InChIInChI=1S/C16H32N2/c1-18(15-10-6-2-3-7-11-15)13-14-9-5-4-8-12-16(14)17/h14-16H,2-13,17H2,1H3
InChIKeyHHHPSAVBTOWXSW-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.55
Rot. Bonds3

About 2-[[cycloheptyl(methyl)amino]methyl]cycloheptan-1-amine

2-[[cycloheptyl(methyl)amino]methyl]cycloheptan-1-amine (PubChem CID 62614703) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-[[cycloheptyl(methyl)amino]methyl]cycloheptan-1-amine.

Molecular Properties

Compound Name2-[[cycloheptyl(methyl)amino]methyl]cycloheptan-1-amine
PubChem CID62614703
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-[[cycloheptyl(methyl)amino]methyl]cycloheptan-1-amine
SMILESCN(CC1CCCCCC1N)C1CCCCCC1
InChIInChI=1S/C16H32N2/c1-18(15-10-6-2-3-7-11-15)13-14-9-5-4-8-12-16(14)17/h14-16H,2-13,17H2,1H3
InChIKeyHHHPSAVBTOWXSW-UHFFFAOYSA-N
XLogP3.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-aminocycloheptyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 62614652
N-[(2-aminocyclohexyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 62615296
2-[[(4-ethylcyclohexyl)-methylamino]methyl]cyclohexan-1-amine
CID 62614437
N-[2-(2-aminocyclopentyl)ethyl]-N-methylcyclohexanamine
CID 79569478
2-[[methyl-(2-methylcyclohexyl)amino]methyl]cycloheptan-1-amine
CID 62609656
6-[[cyclohexyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79852212
2-[[cyclohexyl(ethyl)amino]methyl]cyclohexan-1-amine
CID 55093825
N-[(2-aminocyclohexyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 55093827
4-tert-butyl-2-[[cyclohexyl(methyl)amino]methyl]cyclohexan-1-amine
CID 63483790
N-methyl-N-[[2-(methylamino)cyclohexyl]methyl]cycloheptanamine
CID 62614949
N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-methylcycloheptanamine
CID 79866857
2-[[cyclopropyl(methyl)amino]methyl]cycloheptan-1-ol
CID 62609891

Frequently Asked Questions

What is the IUPAC name of 2-[[cycloheptyl(methyl)amino]methyl]cycloheptan-1-amine?
The IUPAC name of 2-[[cycloheptyl(methyl)amino]methyl]cycloheptan-1-amine (CID 62614703) is 2-[[cycloheptyl(methyl)amino]methyl]cycloheptan-1-amine.
What is the SMILES notation for 2-[[cycloheptyl(methyl)amino]methyl]cycloheptan-1-amine?
The canonical SMILES for 2-[[cycloheptyl(methyl)amino]methyl]cycloheptan-1-amine is CN(CC1CCCCCC1N)C1CCCCCC1.
What is the InChIKey of 2-[[cycloheptyl(methyl)amino]methyl]cycloheptan-1-amine?
The InChIKey is HHHPSAVBTOWXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-18(15-10-6-2-3-7-11-15)13-14-9-5-4-8-12-16(14)17/h14-16H,2-13,17H2,1H3.
What are the key properties of 2-[[cycloheptyl(methyl)amino]methyl]cycloheptan-1-amine?
2-[[cycloheptyl(methyl)amino]methyl]cycloheptan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cycloheptyl(methyl)amino]methyl]cycloheptan-1-amine is sourced from PubChem (CID 62614703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).