(Z)-N,3-dimethylhept-2-en-6-yn-1-amine

C9H15N — CID 163417578

IUPAC(Z)-N,3-dimethylhept-2-en-6-yn-1-amine
SMILESC#CCC/C(C)=C\CNC
InChIInChI=1S/C9H15N/c1-4-5-6-9(2)7-8-10-3/h1,7,10H,5-6,8H2,2-3H3/b9-7-
InChIKeyAFTTVOHJGGSBFF-CLFYSBASSA-N
MW137.23 g/mol
LogP1.57
Rot. Bonds4

About (Z)-N,3-dimethylhept-2-en-6-yn-1-amine

(Z)-N,3-dimethylhept-2-en-6-yn-1-amine (PubChem CID 163417578) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (Z)-N,3-dimethylhept-2-en-6-yn-1-amine.

Molecular Properties

Compound Name(Z)-N,3-dimethylhept-2-en-6-yn-1-amine
PubChem CID163417578
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(Z)-N,3-dimethylhept-2-en-6-yn-1-amine
SMILESC#CCC/C(C)=C\CNC
InChIInChI=1S/C9H15N/c1-4-5-6-9(2)7-8-10-3/h1,7,10H,5-6,8H2,2-3H3/b9-7-
InChIKeyAFTTVOHJGGSBFF-CLFYSBASSA-N
XLogP1.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(2-methylpropyl)oct-3-en-7-yn-1-amine
CID 79607908
(E)-3-methylhept-2-en-6-ynal
CID 14937332
(E)-3-methyloct-3-en-7-yn-1-ol
CID 11457729
(5E,9E)-6,10-dimethyldodeca-5,9-dien-1-yne
CID 159745410
N,3-dimethylbut-2-en-1-amine
CID 12688299
N,4-dimethylhept-3-en-6-yn-1-amine
CID 79598050
N,3-dimethylbut-2-en-1-amine;hydrochloride
CID 155386233
N-methylbut-3-yn-1-amine
CID 12623598
3-[(3E,7E,11E,15E,19E)-4,8,12,16,20-pentamethyltetracosa-3,7,11,15,19-pentaen-23-ynyl]furan
CID 89431367
methanamine;N-methylpent-4-ynamide
CID 160899629
prop-2-ynyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate
CID 58895243
(2E)-N-chloro-3,7-dimethylocta-2,6-dien-1-amine
CID 141263523

Frequently Asked Questions

What is the IUPAC name of (Z)-N,3-dimethylhept-2-en-6-yn-1-amine?
The IUPAC name of (Z)-N,3-dimethylhept-2-en-6-yn-1-amine (CID 163417578) is (Z)-N,3-dimethylhept-2-en-6-yn-1-amine.
What is the SMILES notation for (Z)-N,3-dimethylhept-2-en-6-yn-1-amine?
The canonical SMILES for (Z)-N,3-dimethylhept-2-en-6-yn-1-amine is C#CCC/C(C)=C\CNC.
What is the InChIKey of (Z)-N,3-dimethylhept-2-en-6-yn-1-amine?
The InChIKey is AFTTVOHJGGSBFF-CLFYSBASSA-N. The full InChI is InChI=1S/C9H15N/c1-4-5-6-9(2)7-8-10-3/h1,7,10H,5-6,8H2,2-3H3/b9-7-.
What are the key properties of (Z)-N,3-dimethylhept-2-en-6-yn-1-amine?
(Z)-N,3-dimethylhept-2-en-6-yn-1-amine has a molecular weight of 137.23 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,3-dimethylhept-2-en-6-yn-1-amine is sourced from PubChem (CID 163417578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).