N-(1-aminohexyl)acetamide;azane;benzene

C14H27N3O — CID 67788948

IUPACN-(1-aminohexyl)acetamide;azane;benzene
SMILESCCCCCC(N)NC(C)=O.N.c1ccccc1
InChIInChI=1S/C8H18N2O.C6H6.H3N/c1-3-4-5-6-8(9)10-7(2)11;1-2-4-6-5-3-1;/h8H,3-6,9H2,1-2H3,(H,10,11);1-6H;1H3
InChIKeyHZADUNDYKMNASM-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.84
Rot. Bonds5

About N-(1-aminohexyl)acetamide;azane;benzene

N-(1-aminohexyl)acetamide;azane;benzene (PubChem CID 67788948) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-(1-aminohexyl)acetamide;azane;benzene.

Molecular Properties

Compound NameN-(1-aminohexyl)acetamide;azane;benzene
PubChem CID67788948
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-(1-aminohexyl)acetamide;azane;benzene
SMILESCCCCCC(N)NC(C)=O.N.c1ccccc1
InChIInChI=1S/C8H18N2O.C6H6.H3N/c1-3-4-5-6-8(9)10-7(2)11;1-2-4-6-5-3-1;/h8H,3-6,9H2,1-2H3,(H,10,11);1-6H;1H3
InChIKeyHZADUNDYKMNASM-UHFFFAOYSA-N
XLogP2.84
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexyl)acetamide;azane;benzene?
The IUPAC name of N-(1-aminohexyl)acetamide;azane;benzene (CID 67788948) is N-(1-aminohexyl)acetamide;azane;benzene.
What is the SMILES notation for N-(1-aminohexyl)acetamide;azane;benzene?
The canonical SMILES for N-(1-aminohexyl)acetamide;azane;benzene is CCCCCC(N)NC(C)=O.N.c1ccccc1.
What is the InChIKey of N-(1-aminohexyl)acetamide;azane;benzene?
The InChIKey is HZADUNDYKMNASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O.C6H6.H3N/c1-3-4-5-6-8(9)10-7(2)11;1-2-4-6-5-3-1;/h8H,3-6,9H2,1-2H3,(H,10,11);1-6H;1H3.
What are the key properties of N-(1-aminohexyl)acetamide;azane;benzene?
N-(1-aminohexyl)acetamide;azane;benzene has a molecular weight of 253.39 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexyl)acetamide;azane;benzene is sourced from PubChem (CID 67788948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).