N-ethenylhept-1-en-3-amine

C9H17N — CID 142241347

IUPACN-ethenylhept-1-en-3-amine
SMILESC=CNC(C=C)CCCC
InChIInChI=1S/C9H17N/c1-4-7-8-9(5-2)10-6-3/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyJJEJRPUIRHFYEZ-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.46
Rot. Bonds6

About N-ethenylhept-1-en-3-amine

N-ethenylhept-1-en-3-amine (PubChem CID 142241347) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-ethenylhept-1-en-3-amine.

Molecular Properties

Compound NameN-ethenylhept-1-en-3-amine
PubChem CID142241347
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-ethenylhept-1-en-3-amine
SMILESC=CNC(C=C)CCCC
InChIInChI=1S/C9H17N/c1-4-7-8-9(5-2)10-6-3/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyJJEJRPUIRHFYEZ-UHFFFAOYSA-N
XLogP2.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methylnon-1-en-3-amine
CID 91313419
N-decylsulfanylhept-1-en-3-amine
CID 142841191
N-ethenylnonan-4-amine
CID 154960138
3-ethylhept-1-ene
CID 12923943
hept-1-ene-3-thiol
CID 56998098
N,N-bis(hept-1-en-3-yl)hept-1-en-3-amine
CID 87378366
acetylene;3-methylhept-1-ene;propane
CID 144520771
2-ethenylhexane-1-thiol
CID 89278235
ethenol;hexane
CID 22706833
(3S,4R)-3-methyloct-1-en-4-amine
CID 134994572
(3R,4R)-3-methyloct-1-en-4-ol
CID 13087267
3-ethenylnon-1-ene
CID 123641938

Frequently Asked Questions

What is the IUPAC name of N-ethenylhept-1-en-3-amine?
The IUPAC name of N-ethenylhept-1-en-3-amine (CID 142241347) is N-ethenylhept-1-en-3-amine.
What is the SMILES notation for N-ethenylhept-1-en-3-amine?
The canonical SMILES for N-ethenylhept-1-en-3-amine is C=CNC(C=C)CCCC.
What is the InChIKey of N-ethenylhept-1-en-3-amine?
The InChIKey is JJEJRPUIRHFYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-4-7-8-9(5-2)10-6-3/h5-6,9-10H,2-4,7-8H2,1H3.
What are the key properties of N-ethenylhept-1-en-3-amine?
N-ethenylhept-1-en-3-amine has a molecular weight of 139.24 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenylhept-1-en-3-amine is sourced from PubChem (CID 142241347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).