7-methyloct-5-en-1-amine

C9H19N — CID 71344275

IUPAC7-methyloct-5-en-1-amine
SMILESCC(C)C=CCCCCN
InChIInChI=1S/C9H19N/c1-9(2)7-5-3-4-6-8-10/h5,7,9H,3-4,6,8,10H2,1-2H3
InChIKeyMTACGSFGONAQTA-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.33
Rot. Bonds5

About 7-methyloct-5-en-1-amine

7-methyloct-5-en-1-amine (PubChem CID 71344275) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 7-methyloct-5-en-1-amine.

Molecular Properties

Compound Name7-methyloct-5-en-1-amine
PubChem CID71344275
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name7-methyloct-5-en-1-amine
SMILESCC(C)C=CCCCCN
InChIInChI=1S/C9H19N/c1-9(2)7-5-3-4-6-8-10/h5,7,9H,3-4,6,8,10H2,1-2H3
InChIKeyMTACGSFGONAQTA-UHFFFAOYSA-N
XLogP2.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(Z)-2,15-dimethylhexadec-3-ene
CID 176630983
(Z)-2,13-dimethyltetradec-3-ene
CID 176630936
(Z)-6-methylhept-4-en-1-ol
CID 13494537
tetradec-7-ene-1,14-diamine
CID 91430908
(Z)-20-methylhenicos-9-en-1-amine
CID 139899132
22-methyltricos-13-en-1-amine
CID 172998015
(Z)-hept-5-en-1-amine
CID 55299761
(Z)-2-methyloct-3-ene;octane
CID 159051061
7-methyloct-5-enyl acetate
CID 146842876
(E)-7-methyloct-5-enenitrile
CID 124660499
2,11-dimethylhexadec-3-ene
CID 123962533
11-methyldodec-9-enoic acid
CID 76621229

Frequently Asked Questions

What is the IUPAC name of 7-methyloct-5-en-1-amine?
The IUPAC name of 7-methyloct-5-en-1-amine (CID 71344275) is 7-methyloct-5-en-1-amine.
What is the SMILES notation for 7-methyloct-5-en-1-amine?
The canonical SMILES for 7-methyloct-5-en-1-amine is CC(C)C=CCCCCN.
What is the InChIKey of 7-methyloct-5-en-1-amine?
The InChIKey is MTACGSFGONAQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-9(2)7-5-3-4-6-8-10/h5,7,9H,3-4,6,8,10H2,1-2H3.
What are the key properties of 7-methyloct-5-en-1-amine?
7-methyloct-5-en-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyloct-5-en-1-amine is sourced from PubChem (CID 71344275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).