N'-hept-6-enylethane-1,2-diamine

C9H20N2 — CID 107006766

IUPACN'-hept-6-enylethane-1,2-diamine
SMILESC=CCCCCCNCCN
InChIInChI=1S/C9H20N2/c1-2-3-4-5-6-8-11-9-7-10/h2,11H,1,3-10H2
InChIKeyAVNQMNFBMZKVSJ-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.28
Rot. Bonds8

About N'-hept-6-enylethane-1,2-diamine

N'-hept-6-enylethane-1,2-diamine (PubChem CID 107006766) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N'-hept-6-enylethane-1,2-diamine.

Molecular Properties

Compound NameN'-hept-6-enylethane-1,2-diamine
PubChem CID107006766
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN'-hept-6-enylethane-1,2-diamine
SMILESC=CCCCCCNCCN
InChIInChI=1S/C9H20N2/c1-2-3-4-5-6-8-11-9-7-10/h2,11H,1,3-10H2
InChIKeyAVNQMNFBMZKVSJ-UHFFFAOYSA-N
XLogP1.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.28
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'-pent-4-enylbutane-1,4-diamine
CID 89325974
N-propylnon-8-en-1-amine
CID 107010151
heptadec-16-en-1-amine
CID 15590771
3-(hept-6-enylamino)propanamide
CID 107006585
N'-[2-(prop-2-enylamino)ethyl]ethane-1,2-diamine
CID 15001042
N-pent-4-enyloctan-1-amine
CID 79006791
5-(pent-4-enylamino)pentan-1-ol
CID 107317245
N-(2-methoxyethyl)dec-9-en-1-amine
CID 107010461
N-octadec-17-enyloctadec-9-en-1-amine
CID 123898051
N-(2-but-3-enoxyethyl)hept-6-en-1-amine
CID 106401455
docos-21-en-1-amine;hydrochloride
CID 153323410
heptacosa-1,26-diene
CID 58905535

Frequently Asked Questions

What is the IUPAC name of N'-hept-6-enylethane-1,2-diamine?
The IUPAC name of N'-hept-6-enylethane-1,2-diamine (CID 107006766) is N'-hept-6-enylethane-1,2-diamine.
What is the SMILES notation for N'-hept-6-enylethane-1,2-diamine?
The canonical SMILES for N'-hept-6-enylethane-1,2-diamine is C=CCCCCCNCCN.
What is the InChIKey of N'-hept-6-enylethane-1,2-diamine?
The InChIKey is AVNQMNFBMZKVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-2-3-4-5-6-8-11-9-7-10/h2,11H,1,3-10H2.
What are the key properties of N'-hept-6-enylethane-1,2-diamine?
N'-hept-6-enylethane-1,2-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.28, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hept-6-enylethane-1,2-diamine is sourced from PubChem (CID 107006766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).