(2Z,4Z)-N-ethyl-N,2-dimethyl-4-propan-2-ylhepta-2,4-dien-6-yn-1-amine

C14H23N — CID 126658168

IUPAC(2Z,4Z)-N-ethyl-N,2-dimethyl-4-propan-2-ylhepta-2,4-dien-6-yn-1-amine
SMILESC#C/C=C(\C=C(\C)CN(C)CC)C(C)C
InChIInChI=1S/C14H23N/c1-7-9-14(12(3)4)10-13(5)11-15(6)8-2/h1,9-10,12H,8,11H2,2-6H3/b13-10-,14-9+
InChIKeyMMLSZQCMUUTLEM-QWWBJACISA-N
MW205.34 g/mol
LogP3.10
Rot. Bonds5

About (2Z,4Z)-N-ethyl-N,2-dimethyl-4-propan-2-ylhepta-2,4-dien-6-yn-1-amine

(2Z,4Z)-N-ethyl-N,2-dimethyl-4-propan-2-ylhepta-2,4-dien-6-yn-1-amine (PubChem CID 126658168) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (2Z,4Z)-N-ethyl-N,2-dimethyl-4-propan-2-ylhepta-2,4-dien-6-yn-1-amine.

Molecular Properties

Compound Name(2Z,4Z)-N-ethyl-N,2-dimethyl-4-propan-2-ylhepta-2,4-dien-6-yn-1-amine
PubChem CID126658168
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(2Z,4Z)-N-ethyl-N,2-dimethyl-4-propan-2-ylhepta-2,4-dien-6-yn-1-amine
SMILESC#C/C=C(\C=C(\C)CN(C)CC)C(C)C
InChIInChI=1S/C14H23N/c1-7-9-14(12(3)4)10-13(5)11-15(6)8-2/h1,9-10,12H,8,11H2,2-6H3/b13-10-,14-9+
InChIKeyMMLSZQCMUUTLEM-QWWBJACISA-N
XLogP3.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.10
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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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-N-ethyl-N,2-dimethyl-4-propan-2-ylhepta-2,4-dien-6-yn-1-amine?
The IUPAC name of (2Z,4Z)-N-ethyl-N,2-dimethyl-4-propan-2-ylhepta-2,4-dien-6-yn-1-amine (CID 126658168) is (2Z,4Z)-N-ethyl-N,2-dimethyl-4-propan-2-ylhepta-2,4-dien-6-yn-1-amine.
What is the SMILES notation for (2Z,4Z)-N-ethyl-N,2-dimethyl-4-propan-2-ylhepta-2,4-dien-6-yn-1-amine?
The canonical SMILES for (2Z,4Z)-N-ethyl-N,2-dimethyl-4-propan-2-ylhepta-2,4-dien-6-yn-1-amine is C#C/C=C(\C=C(\C)CN(C)CC)C(C)C.
What is the InChIKey of (2Z,4Z)-N-ethyl-N,2-dimethyl-4-propan-2-ylhepta-2,4-dien-6-yn-1-amine?
The InChIKey is MMLSZQCMUUTLEM-QWWBJACISA-N. The full InChI is InChI=1S/C14H23N/c1-7-9-14(12(3)4)10-13(5)11-15(6)8-2/h1,9-10,12H,8,11H2,2-6H3/b13-10-,14-9+.
What are the key properties of (2Z,4Z)-N-ethyl-N,2-dimethyl-4-propan-2-ylhepta-2,4-dien-6-yn-1-amine?
(2Z,4Z)-N-ethyl-N,2-dimethyl-4-propan-2-ylhepta-2,4-dien-6-yn-1-amine has a molecular weight of 205.34 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 (2Z,4Z)-N-ethyl-N,2-dimethyl-4-propan-2-ylhepta-2,4-dien-6-yn-1-amine is sourced from PubChem (CID 126658168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).