2-(hexylamino)hexan-1-ol

C12H27NO — CID 21278400

IUPAC2-(hexylamino)hexan-1-ol
SMILESCCCCCCNC(CO)CCCC
InChIInChI=1S/C12H27NO/c1-3-5-7-8-10-13-12(11-14)9-6-4-2/h12-14H,3-11H2,1-2H3
InChIKeyDHCXQXXTJVIIKP-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.71
Rot. Bonds10

About 2-(hexylamino)hexan-1-ol

2-(hexylamino)hexan-1-ol (PubChem CID 21278400) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 2-(hexylamino)hexan-1-ol.

Molecular Properties

Compound Name2-(hexylamino)hexan-1-ol
PubChem CID21278400
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name2-(hexylamino)hexan-1-ol
SMILESCCCCCCNC(CO)CCCC
InChIInChI=1S/C12H27NO/c1-3-5-7-8-10-13-12(11-14)9-6-4-2/h12-14H,3-11H2,1-2H3
InChIKeyDHCXQXXTJVIIKP-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.71
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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Frequently Asked Questions

What is the IUPAC name of 2-(hexylamino)hexan-1-ol?
The IUPAC name of 2-(hexylamino)hexan-1-ol (CID 21278400) is 2-(hexylamino)hexan-1-ol.
What is the SMILES notation for 2-(hexylamino)hexan-1-ol?
The canonical SMILES for 2-(hexylamino)hexan-1-ol is CCCCCCNC(CO)CCCC.
What is the InChIKey of 2-(hexylamino)hexan-1-ol?
The InChIKey is DHCXQXXTJVIIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-3-5-7-8-10-13-12(11-14)9-6-4-2/h12-14H,3-11H2,1-2H3.
What are the key properties of 2-(hexylamino)hexan-1-ol?
2-(hexylamino)hexan-1-ol has a molecular weight of 201.35 g/mol, XLogP of 2.71, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexylamino)hexan-1-ol is sourced from PubChem (CID 21278400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).