(5Z)-2,7-dimethyl-4-prop-2-enimidoylnona-3,5-dien-3-amine

C14H24N2 — CID 174036176

IUPAC(5Z)-2,7-dimethyl-4-prop-2-enimidoylnona-3,5-dien-3-amine
SMILES[H]/N=C(\C=C)C(/C=C\C(C)CC)=C(N)C(C)C
InChIInChI=1S/C14H24N2/c1-6-11(5)8-9-12(13(15)7-2)14(16)10(3)4/h7-11,15H,2,6,16H2,1,3-5H3/b9-8-,14-12?,15-13+
InChIKeyMKPYIEHCJVDUGV-JEDMGXGOSA-N
MW220.36 g/mol
LogP3.66
Rot. Bonds6

About (5Z)-2,7-dimethyl-4-prop-2-enimidoylnona-3,5-dien-3-amine

(5Z)-2,7-dimethyl-4-prop-2-enimidoylnona-3,5-dien-3-amine (PubChem CID 174036176) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (5Z)-2,7-dimethyl-4-prop-2-enimidoylnona-3,5-dien-3-amine.

Molecular Properties

Compound Name(5Z)-2,7-dimethyl-4-prop-2-enimidoylnona-3,5-dien-3-amine
PubChem CID174036176
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(5Z)-2,7-dimethyl-4-prop-2-enimidoylnona-3,5-dien-3-amine
SMILES[H]/N=C(\C=C)C(/C=C\C(C)CC)=C(N)C(C)C
InChIInChI=1S/C14H24N2/c1-6-11(5)8-9-12(13(15)7-2)14(16)10(3)4/h7-11,15H,2,6,16H2,1,3-5H3/b9-8-,14-12?,15-13+
InChIKeyMKPYIEHCJVDUGV-JEDMGXGOSA-N
XLogP3.66
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.66
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 (5Z)-2,7-dimethyl-4-prop-2-enimidoylnona-3,5-dien-3-amine?
The IUPAC name of (5Z)-2,7-dimethyl-4-prop-2-enimidoylnona-3,5-dien-3-amine (CID 174036176) is (5Z)-2,7-dimethyl-4-prop-2-enimidoylnona-3,5-dien-3-amine.
What is the SMILES notation for (5Z)-2,7-dimethyl-4-prop-2-enimidoylnona-3,5-dien-3-amine?
The canonical SMILES for (5Z)-2,7-dimethyl-4-prop-2-enimidoylnona-3,5-dien-3-amine is [H]/N=C(\C=C)C(/C=C\C(C)CC)=C(N)C(C)C.
What is the InChIKey of (5Z)-2,7-dimethyl-4-prop-2-enimidoylnona-3,5-dien-3-amine?
The InChIKey is MKPYIEHCJVDUGV-JEDMGXGOSA-N. The full InChI is InChI=1S/C14H24N2/c1-6-11(5)8-9-12(13(15)7-2)14(16)10(3)4/h7-11,15H,2,6,16H2,1,3-5H3/b9-8-,14-12?,15-13+.
What are the key properties of (5Z)-2,7-dimethyl-4-prop-2-enimidoylnona-3,5-dien-3-amine?
(5Z)-2,7-dimethyl-4-prop-2-enimidoylnona-3,5-dien-3-amine has a molecular weight of 220.36 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2,7-dimethyl-4-prop-2-enimidoylnona-3,5-dien-3-amine is sourced from PubChem (CID 174036176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).