N'-[(4E,6Z)-6-propylidenedeca-1,4-dien-5-yl]propane-1,3-diamine

C16H30N2 — CID 130449954

IUPACN'-[(4E,6Z)-6-propylidenedeca-1,4-dien-5-yl]propane-1,3-diamine
SMILESC=CC/C=C(NCCCN)\C(=C/CC)CCCC
InChIInChI=1S/C16H30N2/c1-4-7-11-15(10-6-3)16(12-8-5-2)18-14-9-13-17/h5,10,12,18H,2,4,6-9,11,13-14,17H2,1,3H3/b15-10-,16-12+
InChIKeyYPMIIOYFSHBSPC-RWIOWDNPSA-N
MW250.43 g/mol
LogP3.91
Rot. Bonds11

About N'-[(4E,6Z)-6-propylidenedeca-1,4-dien-5-yl]propane-1,3-diamine

N'-[(4E,6Z)-6-propylidenedeca-1,4-dien-5-yl]propane-1,3-diamine (PubChem CID 130449954) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is N'-[(4E,6Z)-6-propylidenedeca-1,4-dien-5-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[(4E,6Z)-6-propylidenedeca-1,4-dien-5-yl]propane-1,3-diamine
PubChem CID130449954
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC NameN'-[(4E,6Z)-6-propylidenedeca-1,4-dien-5-yl]propane-1,3-diamine
SMILESC=CC/C=C(NCCCN)\C(=C/CC)CCCC
InChIInChI=1S/C16H30N2/c1-4-7-11-15(10-6-3)16(12-8-5-2)18-14-9-13-17/h5,10,12,18H,2,4,6-9,11,13-14,17H2,1,3H3/b15-10-,16-12+
InChIKeyYPMIIOYFSHBSPC-RWIOWDNPSA-N
XLogP3.91
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(4E,6Z)-6-propylidenedeca-1,4-dien-5-yl]propane-1,3-diamine?
The IUPAC name of N'-[(4E,6Z)-6-propylidenedeca-1,4-dien-5-yl]propane-1,3-diamine (CID 130449954) is N'-[(4E,6Z)-6-propylidenedeca-1,4-dien-5-yl]propane-1,3-diamine.
What is the SMILES notation for N'-[(4E,6Z)-6-propylidenedeca-1,4-dien-5-yl]propane-1,3-diamine?
The canonical SMILES for N'-[(4E,6Z)-6-propylidenedeca-1,4-dien-5-yl]propane-1,3-diamine is C=CC/C=C(NCCCN)\C(=C/CC)CCCC.
What is the InChIKey of N'-[(4E,6Z)-6-propylidenedeca-1,4-dien-5-yl]propane-1,3-diamine?
The InChIKey is YPMIIOYFSHBSPC-RWIOWDNPSA-N. The full InChI is InChI=1S/C16H30N2/c1-4-7-11-15(10-6-3)16(12-8-5-2)18-14-9-13-17/h5,10,12,18H,2,4,6-9,11,13-14,17H2,1,3H3/b15-10-,16-12+.
What are the key properties of N'-[(4E,6Z)-6-propylidenedeca-1,4-dien-5-yl]propane-1,3-diamine?
N'-[(4E,6Z)-6-propylidenedeca-1,4-dien-5-yl]propane-1,3-diamine has a molecular weight of 250.43 g/mol, XLogP of 3.91, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4E,6Z)-6-propylidenedeca-1,4-dien-5-yl]propane-1,3-diamine is sourced from PubChem (CID 130449954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).