1-(aminomethyl)-N-cycloheptyl-4-ethylcycloheptan-1-amine

C17H34N2 — CID 65379731

IUPAC1-(aminomethyl)-N-cycloheptyl-4-ethylcycloheptan-1-amine
SMILESCCC1CCCC(CN)(NC2CCCCCC2)CC1
InChIInChI=1S/C17H34N2/c1-2-15-8-7-12-17(14-18,13-11-15)19-16-9-5-3-4-6-10-16/h15-16,19H,2-14,18H2,1H3
InChIKeyJFVJOGFRTXBWSY-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.99
Rot. Bonds4

About 1-(aminomethyl)-N-cycloheptyl-4-ethylcycloheptan-1-amine

1-(aminomethyl)-N-cycloheptyl-4-ethylcycloheptan-1-amine (PubChem CID 65379731) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-(aminomethyl)-N-cycloheptyl-4-ethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-cycloheptyl-4-ethylcycloheptan-1-amine
PubChem CID65379731
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name1-(aminomethyl)-N-cycloheptyl-4-ethylcycloheptan-1-amine
SMILESCCC1CCCC(CN)(NC2CCCCCC2)CC1
InChIInChI=1S/C17H34N2/c1-2-15-8-7-12-17(14-18,13-11-15)19-16-9-5-3-4-6-10-16/h15-16,19H,2-14,18H2,1H3
InChIKeyJFVJOGFRTXBWSY-UHFFFAOYSA-N
XLogP3.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(aminomethyl)-4-ethylcyclohexyl]cycloheptanamine
CID 65379539
1-(aminomethyl)-N-cyclohexyl-3-ethylcyclohexan-1-amine
CID 65383479
N-[1-(aminomethyl)-4-propylcyclohexyl]cycloheptanamine
CID 65382362
N-[1-(aminomethyl)-4-tert-butylcyclohexyl]cycloheptanamine
CID 65379738
1-(aminomethyl)-N-butan-2-yl-4-ethylcycloheptan-1-amine
CID 65385598
1-(aminomethyl)-4-ethyl-N-prop-2-ynylcycloheptan-1-amine
CID 65380981
1-(aminomethyl)-N-cyclohexyl-3-propan-2-ylcyclohexan-1-amine
CID 107449145
8-(aminomethyl)-N-cyclohexylspiro[4.5]decan-8-amine
CID 114818178
1-(cycloheptylamino)-4-ethylcycloheptane-1-carbonitrile
CID 65088445
1-(aminomethyl)-N-but-3-ynyl-4-ethylcycloheptan-1-amine
CID 116641005
4-(aminomethyl)-N-cyclopentylthian-4-amine
CID 65383521
1-(aminomethyl)-N-cyclopentyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 65386069

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-cycloheptyl-4-ethylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-cycloheptyl-4-ethylcycloheptan-1-amine (CID 65379731) is 1-(aminomethyl)-N-cycloheptyl-4-ethylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-cycloheptyl-4-ethylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-cycloheptyl-4-ethylcycloheptan-1-amine is CCC1CCCC(CN)(NC2CCCCCC2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-cycloheptyl-4-ethylcycloheptan-1-amine?
The InChIKey is JFVJOGFRTXBWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-2-15-8-7-12-17(14-18,13-11-15)19-16-9-5-3-4-6-10-16/h15-16,19H,2-14,18H2,1H3.
What are the key properties of 1-(aminomethyl)-N-cycloheptyl-4-ethylcycloheptan-1-amine?
1-(aminomethyl)-N-cycloheptyl-4-ethylcycloheptan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-cycloheptyl-4-ethylcycloheptan-1-amine is sourced from PubChem (CID 65379731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).