N'-[(Z)-hept-3-enyl]propane-1,3-diamine

C10H22N2 — CID 134173214

IUPACN'-[(Z)-hept-3-enyl]propane-1,3-diamine
SMILESCCC/C=C\CCNCCCN
InChIInChI=1S/C10H22N2/c1-2-3-4-5-6-9-12-10-7-8-11/h4-5,12H,2-3,6-11H2,1H3/b5-4-
InChIKeyDKPPZZZNZRDIOH-PLNGDYQASA-N
MW170.30 g/mol
LogP1.67
Rot. Bonds8

About N'-[(Z)-hept-3-enyl]propane-1,3-diamine

N'-[(Z)-hept-3-enyl]propane-1,3-diamine (PubChem CID 134173214) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N'-[(Z)-hept-3-enyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[(Z)-hept-3-enyl]propane-1,3-diamine
PubChem CID134173214
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN'-[(Z)-hept-3-enyl]propane-1,3-diamine
SMILESCCC/C=C\CCNCCCN
InChIInChI=1S/C10H22N2/c1-2-3-4-5-6-9-12-10-7-8-11/h4-5,12H,2-3,6-11H2,1H3/b5-4-
InChIKeyDKPPZZZNZRDIOH-PLNGDYQASA-N
XLogP1.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.67
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'}

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Related Compounds

N'-[(E)-octadec-9-enyl]propane-1,3-diamine
CID 6365166
N'-octadeca-9,12-dienyloctadecane-1,18-diamine
CID 91564749
N'-oct-5-enylhexane-1,6-diamine
CID 90705008
N'-[2-[2-[2-[2-[2-(octadec-9-enylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 154268370
N'-nonylpropane-1,3-diamine;hydrochloride
CID 170875320
N'-octadecylpropane-1,3-diamine;dihydrofluoride
CID 174890769
N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine
CID 22916506
4-(3-aminopropylamino)butanal
CID 19913541
N'-[3-(octadec-1-enylamino)propyl]propane-1,3-diamine
CID 173430140
N'-[4-(2-pentylhydrazinyl)butyl]propane-1,3-diamine
CID 175374912
N-butylpent-3-en-1-amine
CID 73198487
N'-dodecylheptane-1,7-diamine
CID 122537296

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-hept-3-enyl]propane-1,3-diamine?
The IUPAC name of N'-[(Z)-hept-3-enyl]propane-1,3-diamine (CID 134173214) is N'-[(Z)-hept-3-enyl]propane-1,3-diamine.
What is the SMILES notation for N'-[(Z)-hept-3-enyl]propane-1,3-diamine?
The canonical SMILES for N'-[(Z)-hept-3-enyl]propane-1,3-diamine is CCC/C=C\CCNCCCN.
What is the InChIKey of N'-[(Z)-hept-3-enyl]propane-1,3-diamine?
The InChIKey is DKPPZZZNZRDIOH-PLNGDYQASA-N. The full InChI is InChI=1S/C10H22N2/c1-2-3-4-5-6-9-12-10-7-8-11/h4-5,12H,2-3,6-11H2,1H3/b5-4-.
What are the key properties of N'-[(Z)-hept-3-enyl]propane-1,3-diamine?
N'-[(Z)-hept-3-enyl]propane-1,3-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-hept-3-enyl]propane-1,3-diamine is sourced from PubChem (CID 134173214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).