(3S,4R)-3-methyloct-1-en-4-amine

C9H19N — CID 134994572

IUPAC(3S,4R)-3-methyloct-1-en-4-amine
SMILESC=C[C@H](C)[C@H](N)CCCC
InChIInChI=1S/C9H19N/c1-4-6-7-9(10)8(3)5-2/h5,8-9H,2,4,6-7,10H2,1,3H3/t8-,9+/m0/s1
InChIKeyHDRZYPYSJFHFMJ-DTWKUNHWSA-N
MW141.26 g/mol
LogP2.33
Rot. Bonds5

About (3S,4R)-3-methyloct-1-en-4-amine

(3S,4R)-3-methyloct-1-en-4-amine (PubChem CID 134994572) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (3S,4R)-3-methyloct-1-en-4-amine.

Molecular Properties

Compound Name(3S,4R)-3-methyloct-1-en-4-amine
PubChem CID134994572
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(3S,4R)-3-methyloct-1-en-4-amine
SMILESC=C[C@H](C)[C@H](N)CCCC
InChIInChI=1S/C9H19N/c1-4-6-7-9(10)8(3)5-2/h5,8-9H,2,4,6-7,10H2,1,3H3/t8-,9+/m0/s1
InChIKeyHDRZYPYSJFHFMJ-DTWKUNHWSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Cyclohex-3-enyl-1-methyl-ethylamine
CID 44272699
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
2-Methylhept-6-en-3-amine
CID 55284076
Oct-7-en-4-amine
CID 55289415
4,7-Dimethyloct-1-en-4-amine
CID 59741664
1-Cyclohexylpent-4-en-1-amine
CID 64298707
Diallyloctylamine
CID 87161058
(1S)-1-cyclohexylpent-4-en-1-amine
CID 124488146
(3S)-2-methylhept-6-en-3-amine
CID 130038442

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-methyloct-1-en-4-amine?
The IUPAC name of (3S,4R)-3-methyloct-1-en-4-amine (CID 134994572) is (3S,4R)-3-methyloct-1-en-4-amine.
What is the SMILES notation for (3S,4R)-3-methyloct-1-en-4-amine?
The canonical SMILES for (3S,4R)-3-methyloct-1-en-4-amine is C=C[C@H](C)[C@H](N)CCCC.
What is the InChIKey of (3S,4R)-3-methyloct-1-en-4-amine?
The InChIKey is HDRZYPYSJFHFMJ-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H19N/c1-4-6-7-9(10)8(3)5-2/h5,8-9H,2,4,6-7,10H2,1,3H3/t8-,9+/m0/s1.
What are the key properties of (3S,4R)-3-methyloct-1-en-4-amine?
(3S,4R)-3-methyloct-1-en-4-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 (3S,4R)-3-methyloct-1-en-4-amine is sourced from PubChem (CID 134994572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).