benzene;5-methylhexan-1-amine

C13H23N — CID 174722076

IUPACbenzene;5-methylhexan-1-amine
SMILESCC(C)CCCCN.c1ccccc1
InChIInChI=1S/C7H17N.C6H6/c1-7(2)5-3-4-6-8;1-2-4-6-5-3-1/h7H,3-6,8H2,1-2H3;1-6H
InChIKeyDRLUFGIAIFVTJA-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.46
Rot. Bonds4

About benzene;5-methylhexan-1-amine

benzene;5-methylhexan-1-amine (PubChem CID 174722076) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is benzene;5-methylhexan-1-amine.

Molecular Properties

Compound Namebenzene;5-methylhexan-1-amine
PubChem CID174722076
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Namebenzene;5-methylhexan-1-amine
SMILESCC(C)CCCCN.c1ccccc1
InChIInChI=1S/C7H17N.C6H6/c1-7(2)5-3-4-6-8;1-2-4-6-5-3-1/h7H,3-6,8H2,1-2H3;1-6H
InChIKeyDRLUFGIAIFVTJA-UHFFFAOYSA-N
XLogP3.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.46
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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CID 143596731
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benzene;hexane-1,6-diamine
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(3R)-3,11-dimethyldodecan-1-amine
CID 118054380
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CID 83157179
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Frequently Asked Questions

What is the IUPAC name of benzene;5-methylhexan-1-amine?
The IUPAC name of benzene;5-methylhexan-1-amine (CID 174722076) is benzene;5-methylhexan-1-amine.
What is the SMILES notation for benzene;5-methylhexan-1-amine?
The canonical SMILES for benzene;5-methylhexan-1-amine is CC(C)CCCCN.c1ccccc1.
What is the InChIKey of benzene;5-methylhexan-1-amine?
The InChIKey is DRLUFGIAIFVTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N.C6H6/c1-7(2)5-3-4-6-8;1-2-4-6-5-3-1/h7H,3-6,8H2,1-2H3;1-6H.
What are the key properties of benzene;5-methylhexan-1-amine?
benzene;5-methylhexan-1-amine has a molecular weight of 193.33 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;5-methylhexan-1-amine is sourced from PubChem (CID 174722076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).