(3Z,5Z)-2-methylidene-N-(1-phosphanylethyl)hepta-3,5-dien-1-amine

C10H18NP — CID 176995030

IUPAC(3Z,5Z)-2-methylidene-N-(1-phosphanylethyl)hepta-3,5-dien-1-amine
SMILESC=C(/C=C\C=C/C)CNC(C)P
InChIInChI=1S/C10H18NP/c1-4-5-6-7-9(2)8-11-10(3)12/h4-7,10-11H,2,8,12H2,1,3H3/b5-4-,7-6-
InChIKeyHSMHDJNISSPTLC-RZSVFLSASA-N
MW183.24 g/mol
LogP2.49
Rot. Bonds5

About (3Z,5Z)-2-methylidene-N-(1-phosphanylethyl)hepta-3,5-dien-1-amine

(3Z,5Z)-2-methylidene-N-(1-phosphanylethyl)hepta-3,5-dien-1-amine (PubChem CID 176995030) has the molecular formula C10H18NP and a molecular weight of 183.24 g/mol. Its IUPAC name is (3Z,5Z)-2-methylidene-N-(1-phosphanylethyl)hepta-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z,5Z)-2-methylidene-N-(1-phosphanylethyl)hepta-3,5-dien-1-amine
PubChem CID176995030
Molecular FormulaC10H18NP
Molecular Weight183.24 g/mol
Exact Mass183.12
IUPAC Name(3Z,5Z)-2-methylidene-N-(1-phosphanylethyl)hepta-3,5-dien-1-amine
SMILESC=C(/C=C\C=C/C)CNC(C)P
InChIInChI=1S/C10H18NP/c1-4-5-6-7-9(2)8-11-10(3)12/h4-7,10-11H,2,8,12H2,1,3H3/b5-4-,7-6-
InChIKeyHSMHDJNISSPTLC-RZSVFLSASA-N
XLogP2.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5Z)-2-(chloromethyl)hepta-1,3,5-triene
CID 143341887
ethane;methane;(2Z,4Z)-6-methylideneocta-2,4-diene
CID 143380166
2-methylhepta-1,3,5-triene
CID 54571604
(4Z,6Z)-N-[(E)-2-methylbut-2-enyl]-3-methylideneocta-4,6-dien-1-amine
CID 145042717
(3Z)-5-methyl-2-methylidene-N-propan-2-ylhexa-3,5-dien-1-amine
CID 144585216
(3Z,5Z)-N-methyl-2-methylidenehepta-3,5-diene-1-sulfonamide
CID 134526328
ethane;(2Z,4Z)-7-methyl-6-methylideneundeca-2,4-diene
CID 167457633
N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-N-methylhydroxylamine
CID 142817830
3-methanimidoyl-N-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]pyrazin-2-amine
CID 167287464
(3Z,5Z)-N-prop-1-en-2-ylhepta-1,3,5-trien-2-amine
CID 137427597
(2E,4E)-N-prop-2-enylhexa-2,4-dienamide
CID 12943287
2-methyl-1-[4-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]piperidin-1-yl]propan-1-one
CID 174262538

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-2-methylidene-N-(1-phosphanylethyl)hepta-3,5-dien-1-amine?
The IUPAC name of (3Z,5Z)-2-methylidene-N-(1-phosphanylethyl)hepta-3,5-dien-1-amine (CID 176995030) is (3Z,5Z)-2-methylidene-N-(1-phosphanylethyl)hepta-3,5-dien-1-amine.
What is the SMILES notation for (3Z,5Z)-2-methylidene-N-(1-phosphanylethyl)hepta-3,5-dien-1-amine?
The canonical SMILES for (3Z,5Z)-2-methylidene-N-(1-phosphanylethyl)hepta-3,5-dien-1-amine is C=C(/C=C\C=C/C)CNC(C)P.
What is the InChIKey of (3Z,5Z)-2-methylidene-N-(1-phosphanylethyl)hepta-3,5-dien-1-amine?
The InChIKey is HSMHDJNISSPTLC-RZSVFLSASA-N. The full InChI is InChI=1S/C10H18NP/c1-4-5-6-7-9(2)8-11-10(3)12/h4-7,10-11H,2,8,12H2,1,3H3/b5-4-,7-6-.
What are the key properties of (3Z,5Z)-2-methylidene-N-(1-phosphanylethyl)hepta-3,5-dien-1-amine?
(3Z,5Z)-2-methylidene-N-(1-phosphanylethyl)hepta-3,5-dien-1-amine has a molecular weight of 183.24 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-2-methylidene-N-(1-phosphanylethyl)hepta-3,5-dien-1-amine is sourced from PubChem (CID 176995030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).