(3E,5Z)-2-N-prop-1-en-2-ylhepta-3,5-diene-2,3-diamine

C10H18N2 — CID 89099556

IUPAC(3E,5Z)-2-N-prop-1-en-2-ylhepta-3,5-diene-2,3-diamine
SMILESC=C(C)NC(C)/C(N)=C\C=C/C
InChIInChI=1S/C10H18N2/c1-5-6-7-10(11)9(4)12-8(2)3/h5-7,9,12H,2,11H2,1,3-4H3/b6-5-,10-7+
InChIKeyPWIHPIFDLSSYFA-ZZWPSLBBSA-N
MW166.27 g/mol
LogP1.92
Rot. Bonds4

About (3E,5Z)-2-N-prop-1-en-2-ylhepta-3,5-diene-2,3-diamine

(3E,5Z)-2-N-prop-1-en-2-ylhepta-3,5-diene-2,3-diamine (PubChem CID 89099556) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (3E,5Z)-2-N-prop-1-en-2-ylhepta-3,5-diene-2,3-diamine.

Molecular Properties

Compound Name(3E,5Z)-2-N-prop-1-en-2-ylhepta-3,5-diene-2,3-diamine
PubChem CID89099556
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(3E,5Z)-2-N-prop-1-en-2-ylhepta-3,5-diene-2,3-diamine
SMILESC=C(C)NC(C)/C(N)=C\C=C/C
InChIInChI=1S/C10H18N2/c1-5-6-7-10(11)9(4)12-8(2)3/h5-7,9,12H,2,11H2,1,3-4H3/b6-5-,10-7+
InChIKeyPWIHPIFDLSSYFA-ZZWPSLBBSA-N
XLogP1.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-2-N-prop-1-en-2-ylhepta-3,5-diene-2,3-diamine?
The IUPAC name of (3E,5Z)-2-N-prop-1-en-2-ylhepta-3,5-diene-2,3-diamine (CID 89099556) is (3E,5Z)-2-N-prop-1-en-2-ylhepta-3,5-diene-2,3-diamine.
What is the SMILES notation for (3E,5Z)-2-N-prop-1-en-2-ylhepta-3,5-diene-2,3-diamine?
The canonical SMILES for (3E,5Z)-2-N-prop-1-en-2-ylhepta-3,5-diene-2,3-diamine is C=C(C)NC(C)/C(N)=C\C=C/C.
What is the InChIKey of (3E,5Z)-2-N-prop-1-en-2-ylhepta-3,5-diene-2,3-diamine?
The InChIKey is PWIHPIFDLSSYFA-ZZWPSLBBSA-N. The full InChI is InChI=1S/C10H18N2/c1-5-6-7-10(11)9(4)12-8(2)3/h5-7,9,12H,2,11H2,1,3-4H3/b6-5-,10-7+.
What are the key properties of (3E,5Z)-2-N-prop-1-en-2-ylhepta-3,5-diene-2,3-diamine?
(3E,5Z)-2-N-prop-1-en-2-ylhepta-3,5-diene-2,3-diamine has a molecular weight of 166.27 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-2-N-prop-1-en-2-ylhepta-3,5-diene-2,3-diamine is sourced from PubChem (CID 89099556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).