(4R)-3,3-dimethyloct-1-en-4-amine

C10H21N — CID 134994441

IUPAC(4R)-3,3-dimethyloct-1-en-4-amine
SMILESC=CC(C)(C)[C@H](N)CCCC
InChIInChI=1S/C10H21N/c1-5-7-8-9(11)10(3,4)6-2/h6,9H,2,5,7-8,11H2,1,3-4H3/t9-/m1/s1
InChIKeyDSMHKUJXPVZJJP-SECBINFHSA-N
MW155.28 g/mol
LogP2.72
Rot. Bonds5

About (4R)-3,3-dimethyloct-1-en-4-amine

(4R)-3,3-dimethyloct-1-en-4-amine (PubChem CID 134994441) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is (4R)-3,3-dimethyloct-1-en-4-amine.

Molecular Properties

Compound Name(4R)-3,3-dimethyloct-1-en-4-amine
PubChem CID134994441
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name(4R)-3,3-dimethyloct-1-en-4-amine
SMILESC=CC(C)(C)[C@H](N)CCCC
InChIInChI=1S/C10H21N/c1-5-7-8-9(11)10(3,4)6-2/h6,9H,2,5,7-8,11H2,1,3-4H3/t9-/m1/s1
InChIKeyDSMHKUJXPVZJJP-SECBINFHSA-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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Frequently Asked Questions

What is the IUPAC name of (4R)-3,3-dimethyloct-1-en-4-amine?
The IUPAC name of (4R)-3,3-dimethyloct-1-en-4-amine (CID 134994441) is (4R)-3,3-dimethyloct-1-en-4-amine.
What is the SMILES notation for (4R)-3,3-dimethyloct-1-en-4-amine?
The canonical SMILES for (4R)-3,3-dimethyloct-1-en-4-amine is C=CC(C)(C)[C@H](N)CCCC.
What is the InChIKey of (4R)-3,3-dimethyloct-1-en-4-amine?
The InChIKey is DSMHKUJXPVZJJP-SECBINFHSA-N. The full InChI is InChI=1S/C10H21N/c1-5-7-8-9(11)10(3,4)6-2/h6,9H,2,5,7-8,11H2,1,3-4H3/t9-/m1/s1.
What are the key properties of (4R)-3,3-dimethyloct-1-en-4-amine?
(4R)-3,3-dimethyloct-1-en-4-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 (4R)-3,3-dimethyloct-1-en-4-amine is sourced from PubChem (CID 134994441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).