(3Z,5E)-6-methyl-1-N,5-N-bis(prop-1-en-2-yl)nona-3,5-dien-8-yne-1,5-diamine

C16H24N2 — CID 143342326

IUPAC(3Z,5E)-6-methyl-1-N,5-N-bis(prop-1-en-2-yl)nona-3,5-dien-8-yne-1,5-diamine
SMILESC#CC/C(C)=C(\C=C/CCNC(=C)C)NC(=C)C
InChIInChI=1S/C16H24N2/c1-7-10-15(6)16(18-14(4)5)11-8-9-12-17-13(2)3/h1,8,11,17-18H,2,4,9-10,12H2,3,5-6H3/b11-8-,16-15+
InChIKeyFNRGIJLSTCFYBB-BEVTXSIGSA-N
MW244.38 g/mol
LogP3.48
Rot. Bonds8

About (3Z,5E)-6-methyl-1-N,5-N-bis(prop-1-en-2-yl)nona-3,5-dien-8-yne-1,5-diamine

(3Z,5E)-6-methyl-1-N,5-N-bis(prop-1-en-2-yl)nona-3,5-dien-8-yne-1,5-diamine (PubChem CID 143342326) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is (3Z,5E)-6-methyl-1-N,5-N-bis(prop-1-en-2-yl)nona-3,5-dien-8-yne-1,5-diamine.

Molecular Properties

Compound Name(3Z,5E)-6-methyl-1-N,5-N-bis(prop-1-en-2-yl)nona-3,5-dien-8-yne-1,5-diamine
PubChem CID143342326
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name(3Z,5E)-6-methyl-1-N,5-N-bis(prop-1-en-2-yl)nona-3,5-dien-8-yne-1,5-diamine
SMILESC#CC/C(C)=C(\C=C/CCNC(=C)C)NC(=C)C
InChIInChI=1S/C16H24N2/c1-7-10-15(6)16(18-14(4)5)11-8-9-12-17-13(2)3/h1,8,11,17-18H,2,4,9-10,12H2,3,5-6H3/b11-8-,16-15+
InChIKeyFNRGIJLSTCFYBB-BEVTXSIGSA-N
XLogP3.48
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-6-methyl-1-N,5-N-bis(prop-1-en-2-yl)nona-3,5-dien-8-yne-1,5-diamine?
The IUPAC name of (3Z,5E)-6-methyl-1-N,5-N-bis(prop-1-en-2-yl)nona-3,5-dien-8-yne-1,5-diamine (CID 143342326) is (3Z,5E)-6-methyl-1-N,5-N-bis(prop-1-en-2-yl)nona-3,5-dien-8-yne-1,5-diamine.
What is the SMILES notation for (3Z,5E)-6-methyl-1-N,5-N-bis(prop-1-en-2-yl)nona-3,5-dien-8-yne-1,5-diamine?
The canonical SMILES for (3Z,5E)-6-methyl-1-N,5-N-bis(prop-1-en-2-yl)nona-3,5-dien-8-yne-1,5-diamine is C#CC/C(C)=C(\C=C/CCNC(=C)C)NC(=C)C.
What is the InChIKey of (3Z,5E)-6-methyl-1-N,5-N-bis(prop-1-en-2-yl)nona-3,5-dien-8-yne-1,5-diamine?
The InChIKey is FNRGIJLSTCFYBB-BEVTXSIGSA-N. The full InChI is InChI=1S/C16H24N2/c1-7-10-15(6)16(18-14(4)5)11-8-9-12-17-13(2)3/h1,8,11,17-18H,2,4,9-10,12H2,3,5-6H3/b11-8-,16-15+.
What are the key properties of (3Z,5E)-6-methyl-1-N,5-N-bis(prop-1-en-2-yl)nona-3,5-dien-8-yne-1,5-diamine?
(3Z,5E)-6-methyl-1-N,5-N-bis(prop-1-en-2-yl)nona-3,5-dien-8-yne-1,5-diamine has a molecular weight of 244.38 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-6-methyl-1-N,5-N-bis(prop-1-en-2-yl)nona-3,5-dien-8-yne-1,5-diamine is sourced from PubChem (CID 143342326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).