(3Z)-N-ethyl-N,3-dimethylhepta-1,3-dien-2-amine

C11H21N — CID 131995831

IUPAC(3Z)-N-ethyl-N,3-dimethylhepta-1,3-dien-2-amine
SMILESC=C(/C(C)=C\CCC)N(C)CC
InChIInChI=1S/C11H21N/c1-6-8-9-10(3)11(4)12(5)7-2/h9H,4,6-8H2,1-3,5H3/b10-9-
InChIKeyJEVZGVPDYWZXPT-KTKRTIGZSA-N
MW167.30 g/mol
LogP3.20
Rot. Bonds5

About (3Z)-N-ethyl-N,3-dimethylhepta-1,3-dien-2-amine

(3Z)-N-ethyl-N,3-dimethylhepta-1,3-dien-2-amine (PubChem CID 131995831) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (3Z)-N-ethyl-N,3-dimethylhepta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z)-N-ethyl-N,3-dimethylhepta-1,3-dien-2-amine
PubChem CID131995831
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(3Z)-N-ethyl-N,3-dimethylhepta-1,3-dien-2-amine
SMILESC=C(/C(C)=C\CCC)N(C)CC
InChIInChI=1S/C11H21N/c1-6-8-9-10(3)11(4)12(5)7-2/h9H,4,6-8H2,1-3,5H3/b10-9-
InChIKeyJEVZGVPDYWZXPT-KTKRTIGZSA-N
XLogP3.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,3Z)-2-ethylidene-5-[ethyl(methyl)amino]-4-methylhexa-3,5-dienenitrile
CID 170720884
bis(N,N-dimethylmethanamine);2-methylhex-2-enoic acid;hydrochloride
CID 173034398
2-methylhex-2-enoic acid;tetrahydrofluoride
CID 174467468
ethyl (4E)-6-(dimethylamino)-5-methylhepta-4,6-dienoate
CID 12892823
N-[[(E)-hex-2-en-2-yl]amino]-N-(methylamino)methanamine
CID 167104498
2-methylhex-2-enamide;hydrochloride
CID 141109029
(Z)-5-prop-1-en-2-ylnon-4-ene
CID 177440529
N-ethyl-N-methylbuta-1,3-dien-2-amine
CID 123199652
(3E)-2-methylhepta-1,3-diene
CID 12928201
2-methylhepta-1,3-diene
CID 54310621
[(4Z,7Z)-9-(diethylamino)-5-[(E)-hex-2-en-2-yl]deca-4,7,9-trienylidene]-diethylazanium
CID 118120033
(6Z)-N-ethyl-N-methylocta-1,6-dien-2-amine
CID 163733373

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-ethyl-N,3-dimethylhepta-1,3-dien-2-amine?
The IUPAC name of (3Z)-N-ethyl-N,3-dimethylhepta-1,3-dien-2-amine (CID 131995831) is (3Z)-N-ethyl-N,3-dimethylhepta-1,3-dien-2-amine.
What is the SMILES notation for (3Z)-N-ethyl-N,3-dimethylhepta-1,3-dien-2-amine?
The canonical SMILES for (3Z)-N-ethyl-N,3-dimethylhepta-1,3-dien-2-amine is C=C(/C(C)=C\CCC)N(C)CC.
What is the InChIKey of (3Z)-N-ethyl-N,3-dimethylhepta-1,3-dien-2-amine?
The InChIKey is JEVZGVPDYWZXPT-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H21N/c1-6-8-9-10(3)11(4)12(5)7-2/h9H,4,6-8H2,1-3,5H3/b10-9-.
What are the key properties of (3Z)-N-ethyl-N,3-dimethylhepta-1,3-dien-2-amine?
(3Z)-N-ethyl-N,3-dimethylhepta-1,3-dien-2-amine has a molecular weight of 167.30 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-ethyl-N,3-dimethylhepta-1,3-dien-2-amine is sourced from PubChem (CID 131995831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).