N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-methylcycloheptanamine

C16H32N2 — CID 79866857

IUPACN-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-methylcycloheptanamine
SMILESCN(CC1CCC(C)(C)C1N)C1CCCCCC1
InChIInChI=1S/C16H32N2/c1-16(2)11-10-13(15(16)17)12-18(3)14-8-6-4-5-7-9-14/h13-15H,4-12,17H2,1-3H3
InChIKeyNWLVDZADHSAEOC-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.40
Rot. Bonds3

About N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-methylcycloheptanamine

N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-methylcycloheptanamine (PubChem CID 79866857) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-methylcycloheptanamine.

Molecular Properties

Compound NameN-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-methylcycloheptanamine
PubChem CID79866857
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-methylcycloheptanamine
SMILESCN(CC1CCC(C)(C)C1N)C1CCCCCC1
InChIInChI=1S/C16H32N2/c1-16(2)11-10-13(15(16)17)12-18(3)14-8-6-4-5-7-9-14/h13-15H,4-12,17H2,1-3H3
InChIKeyNWLVDZADHSAEOC-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[[cyclohexyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79852212
N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 79855632
N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N,3-dimethylcyclohexan-1-amine
CID 79866338
N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-ethylcyclohexanamine
CID 79865875
2,2-dimethyl-6-[[methyl-(3-methylcyclohexyl)amino]methyl]cyclohexan-1-amine
CID 79852665
2-[[cycloheptyl(methyl)amino]methyl]cycloheptan-1-amine
CID 62614703
N-[(2-amino-3,3-dimethylcyclohexyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 79853273
N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N,2-dimethyloxolan-3-amine
CID 82743684
5-[[butan-2-yl(methyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79865883
6-[[cyclobutylmethyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79849427
6-[[ethyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-amine
CID 79852215
5-[[bis(2-methylpropyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79866470

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-methylcycloheptanamine?
The IUPAC name of N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-methylcycloheptanamine (CID 79866857) is N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-methylcycloheptanamine.
What is the SMILES notation for N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-methylcycloheptanamine?
The canonical SMILES for N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-methylcycloheptanamine is CN(CC1CCC(C)(C)C1N)C1CCCCCC1.
What is the InChIKey of N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-methylcycloheptanamine?
The InChIKey is NWLVDZADHSAEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-16(2)11-10-13(15(16)17)12-18(3)14-8-6-4-5-7-9-14/h13-15H,4-12,17H2,1-3H3.
What are the key properties of N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-methylcycloheptanamine?
N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-methylcycloheptanamine has a molecular weight of 252.45 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-3,3-dimethylcyclopentyl)methyl]-N-methylcycloheptanamine is sourced from PubChem (CID 79866857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).