N-ethyl-5-methylhex-4-en-3-amine

C9H19N — CID 79190287

IUPACN-ethyl-5-methylhex-4-en-3-amine
SMILESCCNC(C=C(C)C)CC
InChIInChI=1S/C9H19N/c1-5-9(10-6-2)7-8(3)4/h7,9-10H,5-6H2,1-4H3
InChIKeyXZRQVDQEEHUWCM-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.34
Rot. Bonds4

About N-ethyl-5-methylhex-4-en-3-amine

N-ethyl-5-methylhex-4-en-3-amine (PubChem CID 79190287) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is N-ethyl-5-methylhex-4-en-3-amine.

Molecular Properties

Compound NameN-ethyl-5-methylhex-4-en-3-amine
PubChem CID79190287
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC NameN-ethyl-5-methylhex-4-en-3-amine
SMILESCCNC(C=C(C)C)CC
InChIInChI=1S/C9H19N/c1-5-9(10-6-2)7-8(3)4/h7,9-10H,5-6H2,1-4H3
InChIKeyXZRQVDQEEHUWCM-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methylhex-4-en-3-amine?
The IUPAC name of N-ethyl-5-methylhex-4-en-3-amine (CID 79190287) is N-ethyl-5-methylhex-4-en-3-amine.
What is the SMILES notation for N-ethyl-5-methylhex-4-en-3-amine?
The canonical SMILES for N-ethyl-5-methylhex-4-en-3-amine is CCNC(C=C(C)C)CC.
What is the InChIKey of N-ethyl-5-methylhex-4-en-3-amine?
The InChIKey is XZRQVDQEEHUWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-5-9(10-6-2)7-8(3)4/h7,9-10H,5-6H2,1-4H3.
What are the key properties of N-ethyl-5-methylhex-4-en-3-amine?
N-ethyl-5-methylhex-4-en-3-amine has a molecular weight of 141.26 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methylhex-4-en-3-amine is sourced from PubChem (CID 79190287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).