N-(cyclohepta-1,3,6-trien-1-ylmethyl)ethanamine

C10H15N — CID 89174705

IUPACN-(cyclohepta-1,3,6-trien-1-ylmethyl)ethanamine
SMILESCCNCC1=CC=CCC=C1
InChIInChI=1S/C10H15N/c1-2-11-9-10-7-5-3-4-6-8-10/h3,5-8,11H,2,4,9H2,1H3
InChIKeyLUCIAUOGZHIFKG-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.04
Rot. Bonds3

About N-(cyclohepta-1,3,6-trien-1-ylmethyl)ethanamine

N-(cyclohepta-1,3,6-trien-1-ylmethyl)ethanamine (PubChem CID 89174705) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is N-(cyclohepta-1,3,6-trien-1-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(cyclohepta-1,3,6-trien-1-ylmethyl)ethanamine
PubChem CID89174705
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC NameN-(cyclohepta-1,3,6-trien-1-ylmethyl)ethanamine
SMILESCCNCC1=CC=CCC=C1
InChIInChI=1S/C10H15N/c1-2-11-9-10-7-5-3-4-6-8-10/h3,5-8,11H,2,4,9H2,1H3
InChIKeyLUCIAUOGZHIFKG-UHFFFAOYSA-N
XLogP2.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohepta-1,3,6-trien-1-ylmethyl)ethanamine?
The IUPAC name of N-(cyclohepta-1,3,6-trien-1-ylmethyl)ethanamine (CID 89174705) is N-(cyclohepta-1,3,6-trien-1-ylmethyl)ethanamine.
What is the SMILES notation for N-(cyclohepta-1,3,6-trien-1-ylmethyl)ethanamine?
The canonical SMILES for N-(cyclohepta-1,3,6-trien-1-ylmethyl)ethanamine is CCNCC1=CC=CCC=C1.
What is the InChIKey of N-(cyclohepta-1,3,6-trien-1-ylmethyl)ethanamine?
The InChIKey is LUCIAUOGZHIFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-2-11-9-10-7-5-3-4-6-8-10/h3,5-8,11H,2,4,9H2,1H3.
What are the key properties of N-(cyclohepta-1,3,6-trien-1-ylmethyl)ethanamine?
N-(cyclohepta-1,3,6-trien-1-ylmethyl)ethanamine has a molecular weight of 149.24 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohepta-1,3,6-trien-1-ylmethyl)ethanamine is sourced from PubChem (CID 89174705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).