1-(octan-3-ylamino)hexan-1-ol

C14H31NO — CID 155661048

IUPAC1-(octan-3-ylamino)hexan-1-ol
SMILESCCCCCC(O)NC(CC)CCCCC
InChIInChI=1S/C14H31NO/c1-4-7-9-11-13(6-3)15-14(16)12-10-8-5-2/h13-16H,4-12H2,1-3H3
InChIKeyKNIHMCOYGQNWPT-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.83
Rot. Bonds11

About 1-(octan-3-ylamino)hexan-1-ol

1-(octan-3-ylamino)hexan-1-ol (PubChem CID 155661048) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 1-(octan-3-ylamino)hexan-1-ol.

Molecular Properties

Compound Name1-(octan-3-ylamino)hexan-1-ol
PubChem CID155661048
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name1-(octan-3-ylamino)hexan-1-ol
SMILESCCCCCC(O)NC(CC)CCCCC
InChIInChI=1S/C14H31NO/c1-4-7-9-11-13(6-3)15-14(16)12-10-8-5-2/h13-16H,4-12H2,1-3H3
InChIKeyKNIHMCOYGQNWPT-UHFFFAOYSA-N
XLogP3.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Related Compounds

1-(1-hydroxyethylamino)hexan-1-ol
CID 57293401
1-[[(3R)-hexan-3-yl]amino]propan-1-ol
CID 163869071
1-(decan-5-ylamino)ethanol
CID 174223267
1-(1-aminobutylamino)heptan-1-ol
CID 142734448
N-methyloctadecan-3-amine
CID 150460863
N-methyldecan-3-amine
CID 60996977
1-(heptan-2-ylamino)butan-1-ol
CID 155661002
(E,2R)-2-(1-hydroxyhexadecylamino)octadec-4-en-1-ol
CID 139552164
1-(octylamino)dodecan-1-ol
CID 88518081
1-(pentylamino)dodecan-1-ol
CID 88518034
pentadecan-3-ylhydrazine
CID 105200968
1-(hexadecylamino)docosan-1-ol
CID 88518088

Frequently Asked Questions

What is the IUPAC name of 1-(octan-3-ylamino)hexan-1-ol?
The IUPAC name of 1-(octan-3-ylamino)hexan-1-ol (CID 155661048) is 1-(octan-3-ylamino)hexan-1-ol.
What is the SMILES notation for 1-(octan-3-ylamino)hexan-1-ol?
The canonical SMILES for 1-(octan-3-ylamino)hexan-1-ol is CCCCCC(O)NC(CC)CCCCC.
What is the InChIKey of 1-(octan-3-ylamino)hexan-1-ol?
The InChIKey is KNIHMCOYGQNWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-4-7-9-11-13(6-3)15-14(16)12-10-8-5-2/h13-16H,4-12H2,1-3H3.
What are the key properties of 1-(octan-3-ylamino)hexan-1-ol?
1-(octan-3-ylamino)hexan-1-ol has a molecular weight of 229.41 g/mol, XLogP of 3.83, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(octan-3-ylamino)hexan-1-ol is sourced from PubChem (CID 155661048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).