3-ethyl-N-methylhex-2-en-4-yn-1-amine

C9H15N — CID 123486240

IUPAC3-ethyl-N-methylhex-2-en-4-yn-1-amine
SMILESCC#CC(=CCNC)CC
InChIInChI=1S/C9H15N/c1-4-6-9(5-2)7-8-10-3/h7,10H,5,8H2,1-3H3
InChIKeyRZTDJNUFNXTVDG-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.57
Rot. Bonds3

About 3-ethyl-N-methylhex-2-en-4-yn-1-amine

3-ethyl-N-methylhex-2-en-4-yn-1-amine (PubChem CID 123486240) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 3-ethyl-N-methylhex-2-en-4-yn-1-amine.

Molecular Properties

Compound Name3-ethyl-N-methylhex-2-en-4-yn-1-amine
PubChem CID123486240
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name3-ethyl-N-methylhex-2-en-4-yn-1-amine
SMILESCC#CC(=CCNC)CC
InChIInChI=1S/C9H15N/c1-4-6-9(5-2)7-8-10-3/h7,10H,5,8H2,1-3H3
InChIKeyRZTDJNUFNXTVDG-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-ethylhepta-1,3-dien-5-yne
CID 123484500
N,3-dimethylbut-2-en-1-amine
CID 12688299
2-methylpropane;(Z)-4-propylhept-4-en-2-yne
CID 144516980
N,3-dimethylbut-2-en-1-amine;hydrochloride
CID 155386233
(E)-4-ethylnon-3-en-5-yne
CID 5368780
6-ethyloct-5-en-2-yn-4-one
CID 14225528
(E)-2-ethylpent-2-enenitrile
CID 5358335
(2Z,4E)-4-prop-1-ynylhepta-2,4-diene
CID 143706304
(2E,4E)-N,3-dimethylhexa-2,4-dien-1-amine
CID 55299916
(E)-2-methyl-4-(methylamino)but-2-enoic acid
CID 87093602
(Z)-N,3-dimethylhept-2-en-6-yn-1-amine
CID 163417578
methyl 2-methylidenepent-3-ynoate
CID 174187978

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methylhex-2-en-4-yn-1-amine?
The IUPAC name of 3-ethyl-N-methylhex-2-en-4-yn-1-amine (CID 123486240) is 3-ethyl-N-methylhex-2-en-4-yn-1-amine.
What is the SMILES notation for 3-ethyl-N-methylhex-2-en-4-yn-1-amine?
The canonical SMILES for 3-ethyl-N-methylhex-2-en-4-yn-1-amine is CC#CC(=CCNC)CC.
What is the InChIKey of 3-ethyl-N-methylhex-2-en-4-yn-1-amine?
The InChIKey is RZTDJNUFNXTVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-4-6-9(5-2)7-8-10-3/h7,10H,5,8H2,1-3H3.
What are the key properties of 3-ethyl-N-methylhex-2-en-4-yn-1-amine?
3-ethyl-N-methylhex-2-en-4-yn-1-amine has a molecular weight of 137.23 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methylhex-2-en-4-yn-1-amine is sourced from PubChem (CID 123486240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).