4-methylundecan-3-amine

C12H27N — CID 63562083

IUPAC4-methylundecan-3-amine
SMILESCCCCCCCC(C)C(N)CC
InChIInChI=1S/C12H27N/c1-4-6-7-8-9-10-11(3)12(13)5-2/h11-12H,4-10,13H2,1-3H3
InChIKeyQYOFGXXYMIPCKP-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.72
Rot. Bonds8

About 4-methylundecan-3-amine

4-methylundecan-3-amine (PubChem CID 63562083) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is 4-methylundecan-3-amine.

Molecular Properties

Compound Name4-methylundecan-3-amine
PubChem CID63562083
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name4-methylundecan-3-amine
SMILESCCCCCCCC(C)C(N)CC
InChIInChI=1S/C12H27N/c1-4-6-7-8-9-10-11(3)12(13)5-2/h11-12H,4-10,13H2,1-3H3
InChIKeyQYOFGXXYMIPCKP-UHFFFAOYSA-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

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16,17-dimethyltritriacontane
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(10S,11S)-10,11-dimethylicosane
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11,12-dimethyloctacosane
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pentacosan-7-amine
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11,12-dimethyltricosane
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nonapentacontan-30-amine
CID 118952570
8,9-dimethylhexacosane
CID 160651612
3-butan-2-yltetradecan-2-amine
CID 175063584
4-methyldodec-11-en-3-amine
CID 141026848

Frequently Asked Questions

What is the IUPAC name of 4-methylundecan-3-amine?
The IUPAC name of 4-methylundecan-3-amine (CID 63562083) is 4-methylundecan-3-amine.
What is the SMILES notation for 4-methylundecan-3-amine?
The canonical SMILES for 4-methylundecan-3-amine is CCCCCCCC(C)C(N)CC.
What is the InChIKey of 4-methylundecan-3-amine?
The InChIKey is QYOFGXXYMIPCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-4-6-7-8-9-10-11(3)12(13)5-2/h11-12H,4-10,13H2,1-3H3.
What are the key properties of 4-methylundecan-3-amine?
4-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 4-methylundecan-3-amine is sourced from PubChem (CID 63562083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).