N-ethylhept-1-en-2-amine

C9H19N — CID 89107342

IUPACN-ethylhept-1-en-2-amine
SMILESC=C(CCCCC)NCC
InChIInChI=1S/C9H19N/c1-4-6-7-8-9(3)10-5-2/h10H,3-8H2,1-2H3
InChIKeyDHVFGWDIGHUMMF-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.69
Rot. Bonds6

About N-ethylhept-1-en-2-amine

N-ethylhept-1-en-2-amine (PubChem CID 89107342) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is N-ethylhept-1-en-2-amine.

Molecular Properties

Compound NameN-ethylhept-1-en-2-amine
PubChem CID89107342
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC NameN-ethylhept-1-en-2-amine
SMILESC=C(CCCCC)NCC
InChIInChI=1S/C9H19N/c1-4-6-7-8-9(3)10-5-2/h10H,3-8H2,1-2H3
InChIKeyDHVFGWDIGHUMMF-UHFFFAOYSA-N
XLogP2.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethylhept-1-en-2-amine?
The IUPAC name of N-ethylhept-1-en-2-amine (CID 89107342) is N-ethylhept-1-en-2-amine.
What is the SMILES notation for N-ethylhept-1-en-2-amine?
The canonical SMILES for N-ethylhept-1-en-2-amine is C=C(CCCCC)NCC.
What is the InChIKey of N-ethylhept-1-en-2-amine?
The InChIKey is DHVFGWDIGHUMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-4-6-7-8-9(3)10-5-2/h10H,3-8H2,1-2H3.
What are the key properties of N-ethylhept-1-en-2-amine?
N-ethylhept-1-en-2-amine has a molecular weight of 141.26 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylhept-1-en-2-amine is sourced from PubChem (CID 89107342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).