(2Z)-N,N-dimethylhepta-2,4-dien-6-yn-1-amine

C9H13N — CID 163670390

IUPAC(2Z)-N,N-dimethylhepta-2,4-dien-6-yn-1-amine
SMILESC#CC=C/C=C\CN(C)C
InChIInChI=1S/C9H13N/c1-4-5-6-7-8-9-10(2)3/h1,5-8H,9H2,2-3H3/b6-5?,8-7-
InChIKeyOUKMJKWBKOPWQT-DTYAYTLWSA-N
MW135.21 g/mol
LogP1.29
Rot. Bonds3

About (2Z)-N,N-dimethylhepta-2,4-dien-6-yn-1-amine

(2Z)-N,N-dimethylhepta-2,4-dien-6-yn-1-amine (PubChem CID 163670390) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is (2Z)-N,N-dimethylhepta-2,4-dien-6-yn-1-amine.

Molecular Properties

Compound Name(2Z)-N,N-dimethylhepta-2,4-dien-6-yn-1-amine
PubChem CID163670390
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name(2Z)-N,N-dimethylhepta-2,4-dien-6-yn-1-amine
SMILESC#CC=C/C=C\CN(C)C
InChIInChI=1S/C9H13N/c1-4-5-6-7-8-9-10(2)3/h1,5-8H,9H2,2-3H3/b6-5?,8-7-
InChIKeyOUKMJKWBKOPWQT-DTYAYTLWSA-N
XLogP1.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-N,N-dimethylhexa-2,4-dien-1-amine
CID 12628261
(3Z,5E)-nona-3,5-dien-1-yne
CID 100974514
bromomethane;(2Z,4Z)-N,N-dimethylhepta-2,4-dien-1-amine
CID 142309153
(E)-hex-3-en-1-yne
CID 5367402
(E)-N,N,N',N'-tetramethylprop-1-ene-1,3-diamine
CID 6444340
3-(dimethylamino)prop-1-en-1-ol
CID 173098720
(E)-3-bromo-N,N-dimethylprop-2-en-1-amine
CID 23271071
(E)-N,N-dimethylpent-2-en-1-amine;hydrochloride
CID 155386408
(2E,4Z,6Z)-2-methyl-N-[(3Z,5Z)-octa-3,5-dien-7-ynyl]octa-2,4,6-trien-1-amine
CID 145212065
2,3-dimethylbutan-2-yl (E)-4-(dimethylamino)but-2-enoate
CID 126513951
5-(dimethylamino)pent-3-enal
CID 174058957
N,N-dimethyl-3-trimethylsilylprop-2-en-1-amine;hydrochloride
CID 175180084

Frequently Asked Questions

What is the IUPAC name of (2Z)-N,N-dimethylhepta-2,4-dien-6-yn-1-amine?
The IUPAC name of (2Z)-N,N-dimethylhepta-2,4-dien-6-yn-1-amine (CID 163670390) is (2Z)-N,N-dimethylhepta-2,4-dien-6-yn-1-amine.
What is the SMILES notation for (2Z)-N,N-dimethylhepta-2,4-dien-6-yn-1-amine?
The canonical SMILES for (2Z)-N,N-dimethylhepta-2,4-dien-6-yn-1-amine is C#CC=C/C=C\CN(C)C.
What is the InChIKey of (2Z)-N,N-dimethylhepta-2,4-dien-6-yn-1-amine?
The InChIKey is OUKMJKWBKOPWQT-DTYAYTLWSA-N. The full InChI is InChI=1S/C9H13N/c1-4-5-6-7-8-9-10(2)3/h1,5-8H,9H2,2-3H3/b6-5?,8-7-.
What are the key properties of (2Z)-N,N-dimethylhepta-2,4-dien-6-yn-1-amine?
(2Z)-N,N-dimethylhepta-2,4-dien-6-yn-1-amine has a molecular weight of 135.21 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N,N-dimethylhepta-2,4-dien-6-yn-1-amine is sourced from PubChem (CID 163670390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).