4-propyloct-7-en-2-amine

C11H23N — CID 123452457

IUPAC4-propyloct-7-en-2-amine
SMILESC=CCCC(CCC)CC(C)N
InChIInChI=1S/C11H23N/c1-4-6-8-11(7-5-2)9-10(3)12/h4,10-11H,1,5-9,12H2,2-3H3
InChIKeyLTBPWIIFQOHECE-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.11
Rot. Bonds7

About 4-propyloct-7-en-2-amine

4-propyloct-7-en-2-amine (PubChem CID 123452457) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 4-propyloct-7-en-2-amine.

Molecular Properties

Compound Name4-propyloct-7-en-2-amine
PubChem CID123452457
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name4-propyloct-7-en-2-amine
SMILESC=CCCC(CCC)CC(C)N
InChIInChI=1S/C11H23N/c1-4-6-8-11(7-5-2)9-10(3)12/h4,10-11H,1,5-9,12H2,2-3H3
InChIKeyLTBPWIIFQOHECE-UHFFFAOYSA-N
XLogP3.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.11
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

2-Cyclohex-3-enyl-1-methyl-ethylamine
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Ethylamine, 2-(2-cyclopentenyl)-1-methyl-
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rac-(1R,2R)-2-(prop-2-en-1-yl)cyclopentan-1-amine
CID 12910252
3,3-Dimethylhept-6-en-1-amine
CID 81014346
rac-(1R,3R)-3-ethenylcyclohexan-1-amine hydrochloride
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1-Cyclobutylbut-3-en-2-amine hydrochloride
CID 168025742
trans-(1R,2R)-2-prop-2-enylcyclohexan-1-amine
CID 12910256
Dodec-1-en-4-amine
CID 14711916
(4R)-4-ethylhex-5-en-1-amine
CID 24767553
8-Nonen-4-amine
CID 24795685
Dodec-11-en-3-amine
CID 53953798

Frequently Asked Questions

What is the IUPAC name of 4-propyloct-7-en-2-amine?
The IUPAC name of 4-propyloct-7-en-2-amine (CID 123452457) is 4-propyloct-7-en-2-amine.
What is the SMILES notation for 4-propyloct-7-en-2-amine?
The canonical SMILES for 4-propyloct-7-en-2-amine is C=CCCC(CCC)CC(C)N.
What is the InChIKey of 4-propyloct-7-en-2-amine?
The InChIKey is LTBPWIIFQOHECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-4-6-8-11(7-5-2)9-10(3)12/h4,10-11H,1,5-9,12H2,2-3H3.
What are the key properties of 4-propyloct-7-en-2-amine?
4-propyloct-7-en-2-amine has a molecular weight of 169.31 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyloct-7-en-2-amine is sourced from PubChem (CID 123452457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).