(3Z)-N,2-dimethylpenta-1,3-dien-3-amine;[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] formate

C16H25NO2 — CID 144533516

IUPAC(3Z)-N,2-dimethylpenta-1,3-dien-3-amine;[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] formate
SMILESC=C(C)/C(=C/C)NC.C=C/C=C(\C=C/C)COC=O
InChIInChI=1S/C9H12O2.C7H13N/c1-3-5-9(6-4-2)7-11-8-10;1-5-7(8-4)6(2)3/h3-6,8H,1,7H2,2H3;5,8H,2H2,1,3-4H3/b6-4-,9-5+;7-5-
InChIKeyHRXCAAGUGYGSDX-FEZDZOALSA-N
MW263.38 g/mol
LogP3.53
Rot. Bonds7

About (3Z)-N,2-dimethylpenta-1,3-dien-3-amine;[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] formate

(3Z)-N,2-dimethylpenta-1,3-dien-3-amine;[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] formate (PubChem CID 144533516) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (3Z)-N,2-dimethylpenta-1,3-dien-3-amine;[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] formate.

Molecular Properties

Compound Name(3Z)-N,2-dimethylpenta-1,3-dien-3-amine;[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] formate
PubChem CID144533516
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(3Z)-N,2-dimethylpenta-1,3-dien-3-amine;[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] formate
SMILESC=C(C)/C(=C/C)NC.C=C/C=C(\C=C/C)COC=O
InChIInChI=1S/C9H12O2.C7H13N/c1-3-5-9(6-4-2)7-11-8-10;1-5-7(8-4)6(2)3/h3-6,8H,1,7H2,2H3;5,8H,2H2,1,3-4H3/b6-4-,9-5+;7-5-
InChIKeyHRXCAAGUGYGSDX-FEZDZOALSA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N,2-dimethylpenta-1,3-dien-3-amine;[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] formate?
The IUPAC name of (3Z)-N,2-dimethylpenta-1,3-dien-3-amine;[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] formate (CID 144533516) is (3Z)-N,2-dimethylpenta-1,3-dien-3-amine;[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] formate.
What is the SMILES notation for (3Z)-N,2-dimethylpenta-1,3-dien-3-amine;[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] formate?
The canonical SMILES for (3Z)-N,2-dimethylpenta-1,3-dien-3-amine;[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] formate is C=C(C)/C(=C/C)NC.C=C/C=C(\C=C/C)COC=O.
What is the InChIKey of (3Z)-N,2-dimethylpenta-1,3-dien-3-amine;[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] formate?
The InChIKey is HRXCAAGUGYGSDX-FEZDZOALSA-N. The full InChI is InChI=1S/C9H12O2.C7H13N/c1-3-5-9(6-4-2)7-11-8-10;1-5-7(8-4)6(2)3/h3-6,8H,1,7H2,2H3;5,8H,2H2,1,3-4H3/b6-4-,9-5+;7-5-.
What are the key properties of (3Z)-N,2-dimethylpenta-1,3-dien-3-amine;[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] formate?
(3Z)-N,2-dimethylpenta-1,3-dien-3-amine;[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] formate has a molecular weight of 263.38 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N,2-dimethylpenta-1,3-dien-3-amine;[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] formate is sourced from PubChem (CID 144533516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).