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

C10H22N2 — CID 21027190

IUPAC1-(aminomethyl)-N-ethylcycloheptan-1-amine
SMILESCCNC1(CN)CCCCCC1
InChIInChI=1S/C10H22N2/c1-2-12-10(9-11)7-5-3-4-6-8-10/h12H,2-9,11H2,1H3
InChIKeyNXCRUQGWWNIJAR-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.65
Rot. Bonds3

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

1-(aminomethyl)-N-ethylcycloheptan-1-amine (PubChem CID 21027190) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethylcycloheptan-1-amine
PubChem CID21027190
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name1-(aminomethyl)-N-ethylcycloheptan-1-amine
SMILESCCNC1(CN)CCCCCC1
InChIInChI=1S/C10H22N2/c1-2-12-10(9-11)7-5-3-4-6-8-10/h12H,2-9,11H2,1H3
InChIKeyNXCRUQGWWNIJAR-UHFFFAOYSA-N
XLogP1.65
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethylcycloheptan-1-amine (CID 21027190) is 1-(aminomethyl)-N-ethylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethylcycloheptan-1-amine is CCNC1(CN)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-ethylcycloheptan-1-amine?
The InChIKey is NXCRUQGWWNIJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-2-12-10(9-11)7-5-3-4-6-8-10/h12H,2-9,11H2,1H3.
What are the key properties of 1-(aminomethyl)-N-ethylcycloheptan-1-amine?
1-(aminomethyl)-N-ethylcycloheptan-1-amine has a molecular weight of 170.30 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethylcycloheptan-1-amine is sourced from PubChem (CID 21027190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).