(4R)-4-(octylamino)pentan-1-ol

C13H29NO — CID 98118615

IUPAC(4R)-4-(octylamino)pentan-1-ol
SMILESCCCCCCCCN[C@H](C)CCCO
InChIInChI=1S/C13H29NO/c1-3-4-5-6-7-8-11-14-13(2)10-9-12-15/h13-15H,3-12H2,1-2H3/t13-/m1/s1
InChIKeyTUQFVYCVWNKWCD-CYBMUJFWSA-N
MW215.38 g/mol
LogP3.10
Rot. Bonds11

About (4R)-4-(octylamino)pentan-1-ol

(4R)-4-(octylamino)pentan-1-ol (PubChem CID 98118615) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is (4R)-4-(octylamino)pentan-1-ol.

Molecular Properties

Compound Name(4R)-4-(octylamino)pentan-1-ol
PubChem CID98118615
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name(4R)-4-(octylamino)pentan-1-ol
SMILESCCCCCCCCN[C@H](C)CCCO
InChIInChI=1S/C13H29NO/c1-3-4-5-6-7-8-11-14-13(2)10-9-12-15/h13-15H,3-12H2,1-2H3/t13-/m1/s1
InChIKeyTUQFVYCVWNKWCD-CYBMUJFWSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.10
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

3-(octylamino)butan-1-ol
CID 83177243
N-heptan-2-ylheptan-1-amine
CID 43572726
N-octan-2-ylnonan-1-amine
CID 63491715
N-heptan-2-yldodecan-1-amine
CID 63491878
N-octan-2-ylundecan-1-amine
CID 150124606
N-butylundecan-2-amine
CID 90035852
N-pentan-2-ylheptan-1-amine
CID 43129169
(2S)-2-(hexylamino)propan-1-ol
CID 88509072
2-[2-(hexadecan-2-ylamino)ethylamino]ethanol
CID 102117969
3-[1-(tetradecylamino)propan-2-ylamino]propan-1-ol
CID 139697693
2-methyl-5-(nonan-2-ylamino)pentan-1-ol
CID 104862242
6,6,6-trifluoro-N-hexylhexan-2-amine
CID 116534124

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(octylamino)pentan-1-ol?
The IUPAC name of (4R)-4-(octylamino)pentan-1-ol (CID 98118615) is (4R)-4-(octylamino)pentan-1-ol.
What is the SMILES notation for (4R)-4-(octylamino)pentan-1-ol?
The canonical SMILES for (4R)-4-(octylamino)pentan-1-ol is CCCCCCCCN[C@H](C)CCCO.
What is the InChIKey of (4R)-4-(octylamino)pentan-1-ol?
The InChIKey is TUQFVYCVWNKWCD-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H29NO/c1-3-4-5-6-7-8-11-14-13(2)10-9-12-15/h13-15H,3-12H2,1-2H3/t13-/m1/s1.
What are the key properties of (4R)-4-(octylamino)pentan-1-ol?
(4R)-4-(octylamino)pentan-1-ol has a molecular weight of 215.38 g/mol, XLogP of 3.10, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(octylamino)pentan-1-ol is sourced from PubChem (CID 98118615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).