1-(1-amino-2-cyclopentylethyl)-N,N-dimethylcycloheptan-1-amine

C16H32N2 — CID 79080652

IUPAC1-(1-amino-2-cyclopentylethyl)-N,N-dimethylcycloheptan-1-amine
SMILESCN(C)C1(C(N)CC2CCCC2)CCCCCC1
InChIInChI=1S/C16H32N2/c1-18(2)16(11-7-3-4-8-12-16)15(17)13-14-9-5-6-10-14/h14-15H,3-13,17H2,1-2H3
InChIKeyGRPJJDJXMBCQOV-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.55
Rot. Bonds4

About 1-(1-amino-2-cyclopentylethyl)-N,N-dimethylcycloheptan-1-amine

1-(1-amino-2-cyclopentylethyl)-N,N-dimethylcycloheptan-1-amine (PubChem CID 79080652) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-(1-amino-2-cyclopentylethyl)-N,N-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(1-amino-2-cyclopentylethyl)-N,N-dimethylcycloheptan-1-amine
PubChem CID79080652
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-(1-amino-2-cyclopentylethyl)-N,N-dimethylcycloheptan-1-amine
SMILESCN(C)C1(C(N)CC2CCCC2)CCCCCC1
InChIInChI=1S/C16H32N2/c1-18(2)16(11-7-3-4-8-12-16)15(17)13-14-9-5-6-10-14/h14-15H,3-13,17H2,1-2H3
InChIKeyGRPJJDJXMBCQOV-UHFFFAOYSA-N
XLogP3.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

1-[1-amino-2-(oxan-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79080920
1-(2-cyclohexyl-1-hydrazinylethyl)-N,N-dimethylcycloheptan-1-amine
CID 105243794
1-(1-aminopentyl)-N,N-dimethylcyclohexan-1-amine
CID 79066659
1-(2-cyclopentyl-1-hydrazinylethyl)-N,N,4-trimethylcyclohexan-1-amine
CID 105243419
1-(1-amino-3-methylbut-3-enyl)-N,N-dimethylcycloheptan-1-amine
CID 79185474
1-(1-amino-5-methylhexyl)-N,N-dimethylcyclohexan-1-amine
CID 83160951
2-cyclobutyl-1-(1-methoxycyclohexyl)ethanamine
CID 116762657
1-(1-aminoethyl)-N,N-dimethylcycloheptan-1-amine
CID 79081577
1-[(2-ethylcyclohexyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243841
1-[amino(oxan-4-yl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066285
1-[2-cyclobutyl-1-(propylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79069853
1-(1-aminoprop-2-enyl)-N,N-dimethylcycloheptan-1-amine
CID 79081473

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-2-cyclopentylethyl)-N,N-dimethylcycloheptan-1-amine?
The IUPAC name of 1-(1-amino-2-cyclopentylethyl)-N,N-dimethylcycloheptan-1-amine (CID 79080652) is 1-(1-amino-2-cyclopentylethyl)-N,N-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1-(1-amino-2-cyclopentylethyl)-N,N-dimethylcycloheptan-1-amine?
The canonical SMILES for 1-(1-amino-2-cyclopentylethyl)-N,N-dimethylcycloheptan-1-amine is CN(C)C1(C(N)CC2CCCC2)CCCCCC1.
What is the InChIKey of 1-(1-amino-2-cyclopentylethyl)-N,N-dimethylcycloheptan-1-amine?
The InChIKey is GRPJJDJXMBCQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-18(2)16(11-7-3-4-8-12-16)15(17)13-14-9-5-6-10-14/h14-15H,3-13,17H2,1-2H3.
What are the key properties of 1-(1-amino-2-cyclopentylethyl)-N,N-dimethylcycloheptan-1-amine?
1-(1-amino-2-cyclopentylethyl)-N,N-dimethylcycloheptan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-2-cyclopentylethyl)-N,N-dimethylcycloheptan-1-amine is sourced from PubChem (CID 79080652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).