6-amino-N-butylhexanamide

C10H22N2O — CID 14914743

IUPAC6-amino-N-butylhexanamide
SMILESCCCCNC(=O)CCCCCN
InChIInChI=1S/C10H22N2O/c1-2-3-9-12-10(13)7-5-4-6-8-11/h2-9,11H2,1H3,(H,12,13)
InChIKeySMTWQVVRGPMXGQ-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.42
Rot. Bonds8

About 6-amino-N-butylhexanamide

6-amino-N-butylhexanamide (PubChem CID 14914743) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 6-amino-N-butylhexanamide.

Molecular Properties

Compound Name6-amino-N-butylhexanamide
PubChem CID14914743
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name6-amino-N-butylhexanamide
SMILESCCCCNC(=O)CCCCCN
InChIInChI=1S/C10H22N2O/c1-2-3-9-12-10(13)7-5-4-6-8-11/h2-9,11H2,1H3,(H,12,13)
InChIKeySMTWQVVRGPMXGQ-UHFFFAOYSA-N
XLogP1.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-butylheptanamide
CID 24689519
N-(4-aminobutyl)tetracosanamide
CID 171117181
N-(6-aminohexyl)dodecanamide
CID 13030555
N-(9-aminononyl)nonanamide
CID 154091260
5-amino-N-dodecylpentanamide;hydrochloride
CID 135363918
6-amino-N-pentylhexanamide;hydrochloride
CID 51041459
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
5-amino-N-[5-(propanoylamino)pentyl]pentanamide
CID 170966361
(Z)-N-(4-aminobutyl)pentadec-9-enamide
CID 171117158
N-(2-aminoethyl)nonanamide
CID 13028008
butyl 6-[6-(6-aminohexanoylamino)hexanoylamino]hexanoate
CID 11258474

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-butylhexanamide?
The IUPAC name of 6-amino-N-butylhexanamide (CID 14914743) is 6-amino-N-butylhexanamide.
What is the SMILES notation for 6-amino-N-butylhexanamide?
The canonical SMILES for 6-amino-N-butylhexanamide is CCCCNC(=O)CCCCCN.
What is the InChIKey of 6-amino-N-butylhexanamide?
The InChIKey is SMTWQVVRGPMXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-2-3-9-12-10(13)7-5-4-6-8-11/h2-9,11H2,1H3,(H,12,13).
What are the key properties of 6-amino-N-butylhexanamide?
6-amino-N-butylhexanamide has a molecular weight of 186.30 g/mol, XLogP of 1.42, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-butylhexanamide is sourced from PubChem (CID 14914743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).