(Z,2E)-2-ethylidene-N-methyl-N-(2-methylpropyl)pent-3-en-1-amine

C12H23N — CID 145367899

IUPAC(Z,2E)-2-ethylidene-N-methyl-N-(2-methylpropyl)pent-3-en-1-amine
SMILESC/C=C\C(=C/C)CN(C)CC(C)C
InChIInChI=1S/C12H23N/c1-6-8-12(7-2)10-13(5)9-11(3)4/h6-8,11H,9-10H2,1-5H3/b8-6-,12-7+
InChIKeyCLTKOMHMAPGZTQ-LQNKLOEDSA-N
MW181.32 g/mol
LogP3.10
Rot. Bonds5

About (Z,2E)-2-ethylidene-N-methyl-N-(2-methylpropyl)pent-3-en-1-amine

(Z,2E)-2-ethylidene-N-methyl-N-(2-methylpropyl)pent-3-en-1-amine (PubChem CID 145367899) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (Z,2E)-2-ethylidene-N-methyl-N-(2-methylpropyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(Z,2E)-2-ethylidene-N-methyl-N-(2-methylpropyl)pent-3-en-1-amine
PubChem CID145367899
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(Z,2E)-2-ethylidene-N-methyl-N-(2-methylpropyl)pent-3-en-1-amine
SMILESC/C=C\C(=C/C)CN(C)CC(C)C
InChIInChI=1S/C12H23N/c1-6-8-12(7-2)10-13(5)9-11(3)4/h6-8,11H,9-10H2,1-5H3/b8-6-,12-7+
InChIKeyCLTKOMHMAPGZTQ-LQNKLOEDSA-N
XLogP3.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.10
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

(Z,2E)-N-ethyl-2-ethylidene-N-(2-methylpropyl)pent-3-en-1-amine
CID 146568641
(Z,2E)-2-ethylidene-N,N-dimethylpent-3-en-1-amine
CID 156713234
(Z,4Z)-4-ethylidene-7-methyloct-2-ene
CID 142183675
(Z,2E)-N-ethyl-N-(2-ethylbutyl)-2-ethylidenepent-3-en-1-amine
CID 178156777
(3Z)-N,N-bis(2-methylpropyl)penta-1,3-dien-2-amine
CID 130331308
(2E,4E)-N,7-dimethyl-6-methylidene-N-propan-2-yl-2-[(Z)-prop-1-enyl]octa-2,4-dien-1-amine
CID 139307934
ethane;N-ethyl-N,2-dimethylpropan-1-amine
CID 143400672
(Z,2E)-2-ethylidenepent-3-en-1-ol;methanol
CID 144920748
2-[[(2E)-4-chloro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-methylamino]acetonitrile
CID 143338895
1-[(ethylideneamino)-(2-hydroxypropyl)amino]propan-2-ol
CID 171780139
ethane;(Z,2E)-2-ethylidenepent-3-ene-1-thiol
CID 143332948
N-(2-fluoropropyl)-N,2-dimethylpropan-1-amine
CID 177032219

Frequently Asked Questions

What is the IUPAC name of (Z,2E)-2-ethylidene-N-methyl-N-(2-methylpropyl)pent-3-en-1-amine?
The IUPAC name of (Z,2E)-2-ethylidene-N-methyl-N-(2-methylpropyl)pent-3-en-1-amine (CID 145367899) is (Z,2E)-2-ethylidene-N-methyl-N-(2-methylpropyl)pent-3-en-1-amine.
What is the SMILES notation for (Z,2E)-2-ethylidene-N-methyl-N-(2-methylpropyl)pent-3-en-1-amine?
The canonical SMILES for (Z,2E)-2-ethylidene-N-methyl-N-(2-methylpropyl)pent-3-en-1-amine is C/C=C\C(=C/C)CN(C)CC(C)C.
What is the InChIKey of (Z,2E)-2-ethylidene-N-methyl-N-(2-methylpropyl)pent-3-en-1-amine?
The InChIKey is CLTKOMHMAPGZTQ-LQNKLOEDSA-N. The full InChI is InChI=1S/C12H23N/c1-6-8-12(7-2)10-13(5)9-11(3)4/h6-8,11H,9-10H2,1-5H3/b8-6-,12-7+.
What are the key properties of (Z,2E)-2-ethylidene-N-methyl-N-(2-methylpropyl)pent-3-en-1-amine?
(Z,2E)-2-ethylidene-N-methyl-N-(2-methylpropyl)pent-3-en-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-2-ethylidene-N-methyl-N-(2-methylpropyl)pent-3-en-1-amine is sourced from PubChem (CID 145367899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).