(3R)-2-methylundecan-3-amine

C12H27N — CID 167260316

IUPAC(3R)-2-methylundecan-3-amine
SMILESCCCCCCCC[C@@H](N)C(C)C
InChIInChI=1S/C12H27N/c1-4-5-6-7-8-9-10-12(13)11(2)3/h11-12H,4-10,13H2,1-3H3/t12-/m1/s1
InChIKeySLLPXDXIAZIGOA-GFCCVEGCSA-N
MW185.35 g/mol
LogP3.72
Rot. Bonds8

About (3R)-2-methylundecan-3-amine

(3R)-2-methylundecan-3-amine (PubChem CID 167260316) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is (3R)-2-methylundecan-3-amine.

Molecular Properties

Compound Name(3R)-2-methylundecan-3-amine
PubChem CID167260316
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name(3R)-2-methylundecan-3-amine
SMILESCCCCCCCC[C@@H](N)C(C)C
InChIInChI=1S/C12H27N/c1-4-5-6-7-8-9-10-12(13)11(2)3/h11-12H,4-10,13H2,1-3H3/t12-/m1/s1
InChIKeySLLPXDXIAZIGOA-GFCCVEGCSA-N
XLogP3.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.72
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

hexadecane-6,7-diamine
CID 57245820
tritriacontane-16,17-diamine
CID 57106039
hexatriacontane-18,19-diamine
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2,9-dimethyldecane-3,8-diamine
CID 87559181
hexadecane-4,5-diamine
CID 57310882
4-methyltetradecan-5-amine
CID 115831509
3-aminoicosan-2-ol
CID 19964089
3-methyldecan-4-amine
CID 63719252
6-propan-2-yltridecane
CID 123704479
(2S)-tridecan-2-amine
CID 24884182
(2S)-tetradecan-2-amine
CID 25021238
8-propan-2-ylpentadecane
CID 153475308

Frequently Asked Questions

What is the IUPAC name of (3R)-2-methylundecan-3-amine?
The IUPAC name of (3R)-2-methylundecan-3-amine (CID 167260316) is (3R)-2-methylundecan-3-amine.
What is the SMILES notation for (3R)-2-methylundecan-3-amine?
The canonical SMILES for (3R)-2-methylundecan-3-amine is CCCCCCCC[C@@H](N)C(C)C.
What is the InChIKey of (3R)-2-methylundecan-3-amine?
The InChIKey is SLLPXDXIAZIGOA-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H27N/c1-4-5-6-7-8-9-10-12(13)11(2)3/h11-12H,4-10,13H2,1-3H3/t12-/m1/s1.
What are the key properties of (3R)-2-methylundecan-3-amine?
(3R)-2-methylundecan-3-amine has a molecular weight of 185.35 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-methylundecan-3-amine is sourced from PubChem (CID 167260316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).