N-(cyclohexa-1,5-dien-1-ylmethyl)ethanamine

C9H15N — CID 67488737

IUPACN-(cyclohexa-1,5-dien-1-ylmethyl)ethanamine
SMILESCCNCC1=CCCC=C1
InChIInChI=1S/C9H15N/c1-2-10-8-9-6-4-3-5-7-9/h4,6-7,10H,2-3,5,8H2,1H3
InChIKeyCUXBMPONIKNING-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.87
Rot. Bonds3

About N-(cyclohexa-1,5-dien-1-ylmethyl)ethanamine

N-(cyclohexa-1,5-dien-1-ylmethyl)ethanamine (PubChem CID 67488737) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-(cyclohexa-1,5-dien-1-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(cyclohexa-1,5-dien-1-ylmethyl)ethanamine
PubChem CID67488737
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-(cyclohexa-1,5-dien-1-ylmethyl)ethanamine
SMILESCCNCC1=CCCC=C1
InChIInChI=1S/C9H15N/c1-2-10-8-9-6-4-3-5-7-9/h4,6-7,10H,2-3,5,8H2,1H3
InChIKeyCUXBMPONIKNING-UHFFFAOYSA-N
XLogP1.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexa-1,5-dien-1-ylmethyl)ethanamine?
The IUPAC name of N-(cyclohexa-1,5-dien-1-ylmethyl)ethanamine (CID 67488737) is N-(cyclohexa-1,5-dien-1-ylmethyl)ethanamine.
What is the SMILES notation for N-(cyclohexa-1,5-dien-1-ylmethyl)ethanamine?
The canonical SMILES for N-(cyclohexa-1,5-dien-1-ylmethyl)ethanamine is CCNCC1=CCCC=C1.
What is the InChIKey of N-(cyclohexa-1,5-dien-1-ylmethyl)ethanamine?
The InChIKey is CUXBMPONIKNING-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-2-10-8-9-6-4-3-5-7-9/h4,6-7,10H,2-3,5,8H2,1H3.
What are the key properties of N-(cyclohexa-1,5-dien-1-ylmethyl)ethanamine?
N-(cyclohexa-1,5-dien-1-ylmethyl)ethanamine has a molecular weight of 137.23 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexa-1,5-dien-1-ylmethyl)ethanamine is sourced from PubChem (CID 67488737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).