(3R)-N-ethyl-5-methylhex-4-en-3-amine

C9H19N — CID 88880579

IUPAC(3R)-N-ethyl-5-methylhex-4-en-3-amine
SMILESCCN[C@@H](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/t9-/m1/s1
InChIKeyXZRQVDQEEHUWCM-SECBINFHSA-N
MW141.26 g/mol
LogP2.34
Rot. Bonds4

About (3R)-N-ethyl-5-methylhex-4-en-3-amine

(3R)-N-ethyl-5-methylhex-4-en-3-amine (PubChem CID 88880579) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (3R)-N-ethyl-5-methylhex-4-en-3-amine.

Molecular Properties

Compound Name(3R)-N-ethyl-5-methylhex-4-en-3-amine
PubChem CID88880579
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(3R)-N-ethyl-5-methylhex-4-en-3-amine
SMILESCCN[C@@H](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/t9-/m1/s1
InChIKeyXZRQVDQEEHUWCM-SECBINFHSA-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 (3R)-N-ethyl-5-methylhex-4-en-3-amine?
The IUPAC name of (3R)-N-ethyl-5-methylhex-4-en-3-amine (CID 88880579) is (3R)-N-ethyl-5-methylhex-4-en-3-amine.
What is the SMILES notation for (3R)-N-ethyl-5-methylhex-4-en-3-amine?
The canonical SMILES for (3R)-N-ethyl-5-methylhex-4-en-3-amine is CCN[C@@H](C=C(C)C)CC.
What is the InChIKey of (3R)-N-ethyl-5-methylhex-4-en-3-amine?
The InChIKey is XZRQVDQEEHUWCM-SECBINFHSA-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/t9-/m1/s1.
What are the key properties of (3R)-N-ethyl-5-methylhex-4-en-3-amine?
(3R)-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 (3R)-N-ethyl-5-methylhex-4-en-3-amine is sourced from PubChem (CID 88880579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).