6-(2,3-dimethylbutylamino)hexan-1-ol

C12H27NO — CID 107703430

IUPAC6-(2,3-dimethylbutylamino)hexan-1-ol
SMILESCC(C)C(C)CNCCCCCCO
InChIInChI=1S/C12H27NO/c1-11(2)12(3)10-13-8-6-4-5-7-9-14/h11-14H,4-10H2,1-3H3
InChIKeyLQVGZLIXHIOOTN-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.42
Rot. Bonds9

About 6-(2,3-dimethylbutylamino)hexan-1-ol

6-(2,3-dimethylbutylamino)hexan-1-ol (PubChem CID 107703430) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 6-(2,3-dimethylbutylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(2,3-dimethylbutylamino)hexan-1-ol
PubChem CID107703430
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name6-(2,3-dimethylbutylamino)hexan-1-ol
SMILESCC(C)C(C)CNCCCCCCO
InChIInChI=1S/C12H27NO/c1-11(2)12(3)10-13-8-6-4-5-7-9-14/h11-14H,4-10H2,1-3H3
InChIKeyLQVGZLIXHIOOTN-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.42
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

N-(2,3-dimethylbutyl)octan-1-amine
CID 64568463
2,3-dimethyl-N-pentylbutan-1-amine
CID 64570276
4-(3-hydroxypropylamino)-3-methylbutan-2-ol
CID 19354113
5-[(2-methyl-3-methylsulfanylpropyl)amino]pentan-1-ol
CID 63967364
6-[(2-methyl-3-methylsulfanylpropyl)amino]hexan-1-ol
CID 107703420
12-(12-hydroxydodecylamino)dodecan-1-ol
CID 18618691
6-(7-methyloctylamino)hexan-1-ol
CID 107814970
4-(2,3-dimethylbutylamino)-2-methylbutan-2-ol
CID 79355989
7,8-dimethylnonan-1-ol
CID 87272618
10,11-dimethyldodecan-1-ol
CID 174615495
5-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]pentan-1-ol
CID 107317305
3-[1-(tetradecylamino)propan-2-ylamino]propan-1-ol
CID 139697693

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethylbutylamino)hexan-1-ol?
The IUPAC name of 6-(2,3-dimethylbutylamino)hexan-1-ol (CID 107703430) is 6-(2,3-dimethylbutylamino)hexan-1-ol.
What is the SMILES notation for 6-(2,3-dimethylbutylamino)hexan-1-ol?
The canonical SMILES for 6-(2,3-dimethylbutylamino)hexan-1-ol is CC(C)C(C)CNCCCCCCO.
What is the InChIKey of 6-(2,3-dimethylbutylamino)hexan-1-ol?
The InChIKey is LQVGZLIXHIOOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-11(2)12(3)10-13-8-6-4-5-7-9-14/h11-14H,4-10H2,1-3H3.
What are the key properties of 6-(2,3-dimethylbutylamino)hexan-1-ol?
6-(2,3-dimethylbutylamino)hexan-1-ol has a molecular weight of 201.35 g/mol, XLogP of 2.42, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethylbutylamino)hexan-1-ol is sourced from PubChem (CID 107703430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).