(3S)-2,2-dimethyloctan-3-amine

C10H23N — CID 93237613

IUPAC(3S)-2,2-dimethyloctan-3-amine
SMILESCCCCC[C@H](N)C(C)(C)C
InChIInChI=1S/C10H23N/c1-5-6-7-8-9(11)10(2,3)4/h9H,5-8,11H2,1-4H3/t9-/m0/s1
InChIKeyULCUGADHARAVOX-VIFPVBQESA-N
MW157.30 g/mol
LogP2.94
Rot. Bonds4

About (3S)-2,2-dimethyloctan-3-amine

(3S)-2,2-dimethyloctan-3-amine (PubChem CID 93237613) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is (3S)-2,2-dimethyloctan-3-amine.

Molecular Properties

Compound Name(3S)-2,2-dimethyloctan-3-amine
PubChem CID93237613
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Name(3S)-2,2-dimethyloctan-3-amine
SMILESCCCCC[C@H](N)C(C)(C)C
InChIInChI=1S/C10H23N/c1-5-6-7-8-9(11)10(2,3)4/h9H,5-8,11H2,1-4H3/t9-/m0/s1
InChIKeyULCUGADHARAVOX-VIFPVBQESA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-2,2-dimethylpentadecan-3-amine
CID 124525155
2,2-dimethyldodecan-3-amine
CID 43370499
2-methyldecane-2,3-diamine
CID 87934186
2-aminoheptane-1,1,1-triol
CID 90384529
2-N,2-N,2-trimethylnonane-2,3-diamine
CID 79053375
4,4-dimethylicosan-5-amine;hydrobromide
CID 173152006
2-ethoxy-2-methylundecan-3-amine
CID 116726130
2,2,7-trimethylnonan-3-amine
CID 64503004
7-methoxy-2,2-dimethylheptan-3-amine
CID 60926793
2-aminotetradecane-1,1,1-triol;hydrochloride
CID 173374049
4-hexyl-2,2-dimethyldecan-3-amine
CID 146243827
6-tert-butylundecane
CID 90714582

Frequently Asked Questions

What is the IUPAC name of (3S)-2,2-dimethyloctan-3-amine?
The IUPAC name of (3S)-2,2-dimethyloctan-3-amine (CID 93237613) is (3S)-2,2-dimethyloctan-3-amine.
What is the SMILES notation for (3S)-2,2-dimethyloctan-3-amine?
The canonical SMILES for (3S)-2,2-dimethyloctan-3-amine is CCCCC[C@H](N)C(C)(C)C.
What is the InChIKey of (3S)-2,2-dimethyloctan-3-amine?
The InChIKey is ULCUGADHARAVOX-VIFPVBQESA-N. The full InChI is InChI=1S/C10H23N/c1-5-6-7-8-9(11)10(2,3)4/h9H,5-8,11H2,1-4H3/t9-/m0/s1.
What are the key properties of (3S)-2,2-dimethyloctan-3-amine?
(3S)-2,2-dimethyloctan-3-amine has a molecular weight of 157.30 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,2-dimethyloctan-3-amine is sourced from PubChem (CID 93237613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).