N-octyloctan-1-amine;5-(propan-2-ylamino)pentan-1-ol

C24H54N2O — CID 21412290

IUPACN-octyloctan-1-amine;5-(propan-2-ylamino)pentan-1-ol
SMILESCC(C)NCCCCCO.CCCCCCCCNCCCCCCCC
InChIInChI=1S/C16H35N.C8H19NO/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;1-8(2)9-6-4-3-5-7-10/h17H,3-16H2,1-2H3;8-10H,3-7H2,1-2H3
InChIKeyGUKJVSIEMDVYGQ-UHFFFAOYSA-N
MW386.71 g/mol
LogP6.44
Rot. Bonds20

About N-octyloctan-1-amine;5-(propan-2-ylamino)pentan-1-ol

N-octyloctan-1-amine;5-(propan-2-ylamino)pentan-1-ol (PubChem CID 21412290) has the molecular formula C24H54N2O and a molecular weight of 386.71 g/mol. Its IUPAC name is N-octyloctan-1-amine;5-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound NameN-octyloctan-1-amine;5-(propan-2-ylamino)pentan-1-ol
PubChem CID21412290
Molecular FormulaC24H54N2O
Molecular Weight386.71 g/mol
Exact Mass386.42
IUPAC NameN-octyloctan-1-amine;5-(propan-2-ylamino)pentan-1-ol
SMILESCC(C)NCCCCCO.CCCCCCCCNCCCCCCCC
InChIInChI=1S/C16H35N.C8H19NO/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;1-8(2)9-6-4-3-5-7-10/h17H,3-16H2,1-2H3;8-10H,3-7H2,1-2H3
InChIKeyGUKJVSIEMDVYGQ-UHFFFAOYSA-N
XLogP6.44
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.71
LogP ≤ 56.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-(undecylamino)octan-1-ol
CID 139305047
4-(octylamino)butan-1-ol;hydrochloride
CID 71413305
N-propan-2-ylicosan-1-amine
CID 87246132
4-(propan-2-ylamino)butan-1-ol
CID 12950986
N-propan-2-ylnonan-1-amine;hydrochloride
CID 172836169
molecular hydrogen;N-propan-2-ylnonan-1-amine
CID 166461486
fluoromethane;N-propan-2-ylhexan-1-amine
CID 171626710
3-[1-(tetradecylamino)propan-2-ylamino]propan-1-ol
CID 139697693
2-aminoethanol;N-octyloctan-1-amine
CID 158421885
dodecan-1-ol;2-(2-hydroxyethylamino)ethanol
CID 174424821
1-(4-hydroxybutylamino)tetracosan-1-ol
CID 88518032
1-[5-(dodecylamino)pentylamino]pentan-1-ol
CID 166892872

Frequently Asked Questions

What is the IUPAC name of N-octyloctan-1-amine;5-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of N-octyloctan-1-amine;5-(propan-2-ylamino)pentan-1-ol (CID 21412290) is N-octyloctan-1-amine;5-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for N-octyloctan-1-amine;5-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for N-octyloctan-1-amine;5-(propan-2-ylamino)pentan-1-ol is CC(C)NCCCCCO.CCCCCCCCNCCCCCCCC.
What is the InChIKey of N-octyloctan-1-amine;5-(propan-2-ylamino)pentan-1-ol?
The InChIKey is GUKJVSIEMDVYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N.C8H19NO/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;1-8(2)9-6-4-3-5-7-10/h17H,3-16H2,1-2H3;8-10H,3-7H2,1-2H3.
What are the key properties of N-octyloctan-1-amine;5-(propan-2-ylamino)pentan-1-ol?
N-octyloctan-1-amine;5-(propan-2-ylamino)pentan-1-ol has a molecular weight of 386.71 g/mol, XLogP of 6.44, 20 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyloctan-1-amine;5-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 21412290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).