6-[4-aminobutyl(hydroxy)amino]hexan-1-ol

C10H24N2O2 — CID 167290111

IUPAC6-[4-aminobutyl(hydroxy)amino]hexan-1-ol
SMILESNCCCCN(O)CCCCCCO
InChIInChI=1S/C10H24N2O2/c11-7-3-5-9-12(14)8-4-1-2-6-10-13/h13-14H,1-11H2
InChIKeyURPMXYTVBFAUTN-UHFFFAOYSA-N
MW204.31 g/mol
LogP0.97
Rot. Bonds10

About 6-[4-aminobutyl(hydroxy)amino]hexan-1-ol

6-[4-aminobutyl(hydroxy)amino]hexan-1-ol (PubChem CID 167290111) has the molecular formula C10H24N2O2 and a molecular weight of 204.31 g/mol. Its IUPAC name is 6-[4-aminobutyl(hydroxy)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[4-aminobutyl(hydroxy)amino]hexan-1-ol
PubChem CID167290111
Molecular FormulaC10H24N2O2
Molecular Weight204.31 g/mol
Exact Mass204.18
IUPAC Name6-[4-aminobutyl(hydroxy)amino]hexan-1-ol
SMILESNCCCCN(O)CCCCCCO
InChIInChI=1S/C10H24N2O2/c11-7-3-5-9-12(14)8-4-1-2-6-10-13/h13-14H,1-11H2
InChIKeyURPMXYTVBFAUTN-UHFFFAOYSA-N
XLogP0.97
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

36-aminohexatriacontan-1-ol
CID 87686190
6-aminohexan-1-ol;hydrochloride
CID 21259387
12-[ethyl(hydroxy)amino]dodecan-1-ol
CID 89414611
dodecan-1-amine;hexan-1-ol
CID 90011077
N-(3-aminopropyl)-N-[3-(3-aminopropylamino)propyl]hydroxylamine
CID 167246279
7-amino-N-(5-hydroxypentyl)-N-methylheptanamide
CID 107199281
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-N-tetradecylhydroxylamine
CID 174830019
2-aminoethanol;butane-1,4-diol
CID 135347340
acetic acid;5-aminopentan-1-ol
CID 71566788
N',N'-bis(6-aminohexyl)hexane-1,6-diamine
CID 21260857
2-[4-aminobutyl(methyl)amino]ethanol
CID 12647849
N',N'-diaminopentane-1,5-diamine
CID 54100618

Frequently Asked Questions

What is the IUPAC name of 6-[4-aminobutyl(hydroxy)amino]hexan-1-ol?
The IUPAC name of 6-[4-aminobutyl(hydroxy)amino]hexan-1-ol (CID 167290111) is 6-[4-aminobutyl(hydroxy)amino]hexan-1-ol.
What is the SMILES notation for 6-[4-aminobutyl(hydroxy)amino]hexan-1-ol?
The canonical SMILES for 6-[4-aminobutyl(hydroxy)amino]hexan-1-ol is NCCCCN(O)CCCCCCO.
What is the InChIKey of 6-[4-aminobutyl(hydroxy)amino]hexan-1-ol?
The InChIKey is URPMXYTVBFAUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2/c11-7-3-5-9-12(14)8-4-1-2-6-10-13/h13-14H,1-11H2.
What are the key properties of 6-[4-aminobutyl(hydroxy)amino]hexan-1-ol?
6-[4-aminobutyl(hydroxy)amino]hexan-1-ol has a molecular weight of 204.31 g/mol, XLogP of 0.97, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-aminobutyl(hydroxy)amino]hexan-1-ol is sourced from PubChem (CID 167290111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).