(3S)-3,7-dimethyloct-6-en-1-amine

C10H21N — CID 92950555

IUPAC(3S)-3,7-dimethyloct-6-en-1-amine
SMILESCC(C)=CCC[C@H](C)CCN
InChIInChI=1S/C10H21N/c1-9(2)5-4-6-10(3)7-8-11/h5,10H,4,6-8,11H2,1-3H3/t10-/m0/s1
InChIKeyUFMXUNXYYDTTSW-JTQLQIEISA-N
MW155.28 g/mol
LogP2.72
Rot. Bonds5

About (3S)-3,7-dimethyloct-6-en-1-amine

(3S)-3,7-dimethyloct-6-en-1-amine (PubChem CID 92950555) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is (3S)-3,7-dimethyloct-6-en-1-amine.

Molecular Properties

Compound Name(3S)-3,7-dimethyloct-6-en-1-amine
PubChem CID92950555
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name(3S)-3,7-dimethyloct-6-en-1-amine
SMILESCC(C)=CCC[C@H](C)CCN
InChIInChI=1S/C10H21N/c1-9(2)5-4-6-10(3)7-8-11/h5,10H,4,6-8,11H2,1-3H3/t10-/m0/s1
InChIKeyUFMXUNXYYDTTSW-JTQLQIEISA-N
XLogP2.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.72
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

3,7-Dimethyloct-6-en-1-amine
CID 3016807
1-(Cyclohex-3-en-1-yl)methanamine
CID 13512621
2-Cyclohex-3-enyl-1-methyl-ethylamine
CID 44272699
{[2,2-Dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropyl]methyl}amine hydrochloride
CID 2856084
2-(Cyclopent-2-en-1-yl)ethan-1-amine
CID 19703421
(3,7-Dimethyloct-6-en-1-yl)(methyl)amine
CID 22251448
1-((1S)-cyclohex-3-en-1-yl)methanamine
CID 28607738
Cambridge id 5619556
CID 52993159
2-[(1S)-cyclohex-3-en-1-yl]ethan-1-amine
CID 92981480
((4S)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl)methanamine
CID 130625301
[(2,6-Dimethylcyclohex-2-en-1-yl)methyl](methyl)amine
CID 130645649
(Cyclohept-4-en-1-yl)methanamine hydrochloride
CID 132300767

Frequently Asked Questions

What is the IUPAC name of (3S)-3,7-dimethyloct-6-en-1-amine?
The IUPAC name of (3S)-3,7-dimethyloct-6-en-1-amine (CID 92950555) is (3S)-3,7-dimethyloct-6-en-1-amine.
What is the SMILES notation for (3S)-3,7-dimethyloct-6-en-1-amine?
The canonical SMILES for (3S)-3,7-dimethyloct-6-en-1-amine is CC(C)=CCC[C@H](C)CCN.
What is the InChIKey of (3S)-3,7-dimethyloct-6-en-1-amine?
The InChIKey is UFMXUNXYYDTTSW-JTQLQIEISA-N. The full InChI is InChI=1S/C10H21N/c1-9(2)5-4-6-10(3)7-8-11/h5,10H,4,6-8,11H2,1-3H3/t10-/m0/s1.
What are the key properties of (3S)-3,7-dimethyloct-6-en-1-amine?
(3S)-3,7-dimethyloct-6-en-1-amine has a molecular weight of 155.28 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,7-dimethyloct-6-en-1-amine is sourced from PubChem (CID 92950555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).