N-ethylhex-1-en-2-amine

C8H17N — CID 90989093

IUPACN-ethylhex-1-en-2-amine
SMILESC=C(CCCC)NCC
InChIInChI=1S/C8H17N/c1-4-6-7-8(3)9-5-2/h9H,3-7H2,1-2H3
InChIKeyQBJIGQRPEZTBQH-UHFFFAOYSA-N
MW127.23 g/mol
LogP2.30
Rot. Bonds5

About N-ethylhex-1-en-2-amine

N-ethylhex-1-en-2-amine (PubChem CID 90989093) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is N-ethylhex-1-en-2-amine.

Molecular Properties

Compound NameN-ethylhex-1-en-2-amine
PubChem CID90989093
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC NameN-ethylhex-1-en-2-amine
SMILESC=C(CCCC)NCC
InChIInChI=1S/C8H17N/c1-4-6-7-8(3)9-5-2/h9H,3-7H2,1-2H3
InChIKeyQBJIGQRPEZTBQH-UHFFFAOYSA-N
XLogP2.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethylhex-1-en-2-amine?
The IUPAC name of N-ethylhex-1-en-2-amine (CID 90989093) is N-ethylhex-1-en-2-amine.
What is the SMILES notation for N-ethylhex-1-en-2-amine?
The canonical SMILES for N-ethylhex-1-en-2-amine is C=C(CCCC)NCC.
What is the InChIKey of N-ethylhex-1-en-2-amine?
The InChIKey is QBJIGQRPEZTBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-4-6-7-8(3)9-5-2/h9H,3-7H2,1-2H3.
What are the key properties of N-ethylhex-1-en-2-amine?
N-ethylhex-1-en-2-amine has a molecular weight of 127.23 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylhex-1-en-2-amine is sourced from PubChem (CID 90989093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).