(2R,3E,5Z)-2-ethyl-5-methanimidoyl-N-methylhepta-3,5-dien-1-amine

C11H20N2 — CID 166689436

IUPAC(2R,3E,5Z)-2-ethyl-5-methanimidoyl-N-methylhepta-3,5-dien-1-amine
SMILES[H]/N=C/C(=C\C)/C=C/[C@@H](CC)CNC
InChIInChI=1S/C11H20N2/c1-4-10(8-12)6-7-11(5-2)9-13-3/h4,6-8,11-13H,5,9H2,1-3H3/b7-6+,10-4-,12-8+/t11-/m1/s1
InChIKeyFCKPCZBIVVJBET-MNFPSMRASA-N
MW180.30 g/mol
LogP2.38
Rot. Bonds6

About (2R,3E,5Z)-2-ethyl-5-methanimidoyl-N-methylhepta-3,5-dien-1-amine

(2R,3E,5Z)-2-ethyl-5-methanimidoyl-N-methylhepta-3,5-dien-1-amine (PubChem CID 166689436) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is (2R,3E,5Z)-2-ethyl-5-methanimidoyl-N-methylhepta-3,5-dien-1-amine.

Molecular Properties

Compound Name(2R,3E,5Z)-2-ethyl-5-methanimidoyl-N-methylhepta-3,5-dien-1-amine
PubChem CID166689436
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name(2R,3E,5Z)-2-ethyl-5-methanimidoyl-N-methylhepta-3,5-dien-1-amine
SMILES[H]/N=C/C(=C\C)/C=C/[C@@H](CC)CNC
InChIInChI=1S/C11H20N2/c1-4-10(8-12)6-7-11(5-2)9-13-3/h4,6-8,11-13H,5,9H2,1-3H3/b7-6+,10-4-,12-8+/t11-/m1/s1
InChIKeyFCKPCZBIVVJBET-MNFPSMRASA-N
XLogP2.38
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3E,5Z)-2-ethyl-5-methanimidoyl-N-methylhepta-3,5-dien-1-amine?
The IUPAC name of (2R,3E,5Z)-2-ethyl-5-methanimidoyl-N-methylhepta-3,5-dien-1-amine (CID 166689436) is (2R,3E,5Z)-2-ethyl-5-methanimidoyl-N-methylhepta-3,5-dien-1-amine.
What is the SMILES notation for (2R,3E,5Z)-2-ethyl-5-methanimidoyl-N-methylhepta-3,5-dien-1-amine?
The canonical SMILES for (2R,3E,5Z)-2-ethyl-5-methanimidoyl-N-methylhepta-3,5-dien-1-amine is [H]/N=C/C(=C\C)/C=C/[C@@H](CC)CNC.
What is the InChIKey of (2R,3E,5Z)-2-ethyl-5-methanimidoyl-N-methylhepta-3,5-dien-1-amine?
The InChIKey is FCKPCZBIVVJBET-MNFPSMRASA-N. The full InChI is InChI=1S/C11H20N2/c1-4-10(8-12)6-7-11(5-2)9-13-3/h4,6-8,11-13H,5,9H2,1-3H3/b7-6+,10-4-,12-8+/t11-/m1/s1.
What are the key properties of (2R,3E,5Z)-2-ethyl-5-methanimidoyl-N-methylhepta-3,5-dien-1-amine?
(2R,3E,5Z)-2-ethyl-5-methanimidoyl-N-methylhepta-3,5-dien-1-amine has a molecular weight of 180.30 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3E,5Z)-2-ethyl-5-methanimidoyl-N-methylhepta-3,5-dien-1-amine is sourced from PubChem (CID 166689436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).