(Z,3E)-3-ethylidene-2-methylhept-4-en-2-amine

C10H19N — CID 145473647

IUPAC(Z,3E)-3-ethylidene-2-methylhept-4-en-2-amine
SMILESC/C=C(\C=C/CC)C(C)(C)N
InChIInChI=1S/C10H19N/c1-5-7-8-9(6-2)10(3,4)11/h6-8H,5,11H2,1-4H3/b8-7-,9-6+
InChIKeyDFRLAEZNMJUAEG-SOKJVCRVSA-N
MW153.27 g/mol
LogP2.64
Rot. Bonds3

About (Z,3E)-3-ethylidene-2-methylhept-4-en-2-amine

(Z,3E)-3-ethylidene-2-methylhept-4-en-2-amine (PubChem CID 145473647) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (Z,3E)-3-ethylidene-2-methylhept-4-en-2-amine.

Molecular Properties

Compound Name(Z,3E)-3-ethylidene-2-methylhept-4-en-2-amine
PubChem CID145473647
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(Z,3E)-3-ethylidene-2-methylhept-4-en-2-amine
SMILESC/C=C(\C=C/CC)C(C)(C)N
InChIInChI=1S/C10H19N/c1-5-7-8-9(6-2)10(3,4)11/h6-8H,5,11H2,1-4H3/b8-7-,9-6+
InChIKeyDFRLAEZNMJUAEG-SOKJVCRVSA-N
XLogP2.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z,3E)-3-ethylidene-2-methylhept-4-en-2-yl]-4-[(Z,3E)-3-ethylidene-2-methylhex-4-en-2-yl]benzene
CID 143035860
2,2-dimethylpropyl pent-2-enoate
CID 141038283
(E)-2,2-dimethylhept-4-en-3-one
CID 12757137
(2-amino-2-methylpropyl) (Z)-N-methylpent-2-enimidate
CID 142264818
(4E,5Z)-4-ethylidene-2,3-dimethylocta-2,5-diene
CID 142428664
ethyl (Z)-pent-2-enoate
CID 11332473
3-ethylidenehept-4-en-2-one
CID 123873548
(E)-2,5,5-trimethyl-3-[(Z)-prop-1-enyl]hex-3-en-2-amine
CID 129252767
(2E,4E)-3-ethylhepta-2,4-diene
CID 19878662
(2E)-3-fluorohepta-2,4-diene
CID 143797404
(Z)-2-hydroxy-2-methylhex-3-enamide
CID 146609859
(1E,3E)-2-[(Z)-but-1-enyl]-3-[(Z)-prop-1-enyl]hexa-1,3-dien-1-amine
CID 143918138

Frequently Asked Questions

What is the IUPAC name of (Z,3E)-3-ethylidene-2-methylhept-4-en-2-amine?
The IUPAC name of (Z,3E)-3-ethylidene-2-methylhept-4-en-2-amine (CID 145473647) is (Z,3E)-3-ethylidene-2-methylhept-4-en-2-amine.
What is the SMILES notation for (Z,3E)-3-ethylidene-2-methylhept-4-en-2-amine?
The canonical SMILES for (Z,3E)-3-ethylidene-2-methylhept-4-en-2-amine is C/C=C(\C=C/CC)C(C)(C)N.
What is the InChIKey of (Z,3E)-3-ethylidene-2-methylhept-4-en-2-amine?
The InChIKey is DFRLAEZNMJUAEG-SOKJVCRVSA-N. The full InChI is InChI=1S/C10H19N/c1-5-7-8-9(6-2)10(3,4)11/h6-8H,5,11H2,1-4H3/b8-7-,9-6+.
What are the key properties of (Z,3E)-3-ethylidene-2-methylhept-4-en-2-amine?
(Z,3E)-3-ethylidene-2-methylhept-4-en-2-amine has a molecular weight of 153.27 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-3-ethylidene-2-methylhept-4-en-2-amine is sourced from PubChem (CID 145473647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).