1-(1-aminopropylamino)octan-2-ol

C11H26N2O — CID 140711640

IUPAC1-(1-aminopropylamino)octan-2-ol
SMILESCCCCCCC(O)CNC(N)CC
InChIInChI=1S/C11H26N2O/c1-3-5-6-7-8-10(14)9-13-11(12)4-2/h10-11,13-14H,3-9,12H2,1-2H3
InChIKeyJNUBERMMGVJGMR-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.60
Rot. Bonds9

About 1-(1-aminopropylamino)octan-2-ol

1-(1-aminopropylamino)octan-2-ol (PubChem CID 140711640) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-(1-aminopropylamino)octan-2-ol.

Molecular Properties

Compound Name1-(1-aminopropylamino)octan-2-ol
PubChem CID140711640
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name1-(1-aminopropylamino)octan-2-ol
SMILESCCCCCCC(O)CNC(N)CC
InChIInChI=1S/C11H26N2O/c1-3-5-6-7-8-10(14)9-13-11(12)4-2/h10-11,13-14H,3-9,12H2,1-2H3
InChIKeyJNUBERMMGVJGMR-UHFFFAOYSA-N
XLogP1.60
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(1-aminopropylamino)octan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-hydroxyoctadecylamino)octadecan-2-ol
CID 87182048
1-[(1-hydroxy-2-methylpropyl)amino]decan-2-ol
CID 57282042
1-(methylamino)tetradecan-2-ol
CID 18332301
hentriacontane-14,16-diol
CID 87514654
triacontane-6,8-diol
CID 85096450
(7S,9R)-tetratriacontane-7,9-diol
CID 165357894
icosan-3-ol
CID 14940768
(6S,8S)-heptacosane-6,8-diol
CID 10693038
1-(ethylamino)octan-2-ol
CID 62774096
(2R)-1-[2-[[(2R)-2-hydroxydodecyl]amino]ethylamino]dodecan-2-ol
CID 25129899
tetratetracontan-22-ol
CID 91434437
nonacosane-7,20-diol
CID 174949468

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopropylamino)octan-2-ol?
The IUPAC name of 1-(1-aminopropylamino)octan-2-ol (CID 140711640) is 1-(1-aminopropylamino)octan-2-ol.
What is the SMILES notation for 1-(1-aminopropylamino)octan-2-ol?
The canonical SMILES for 1-(1-aminopropylamino)octan-2-ol is CCCCCCC(O)CNC(N)CC.
What is the InChIKey of 1-(1-aminopropylamino)octan-2-ol?
The InChIKey is JNUBERMMGVJGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-3-5-6-7-8-10(14)9-13-11(12)4-2/h10-11,13-14H,3-9,12H2,1-2H3.
What are the key properties of 1-(1-aminopropylamino)octan-2-ol?
1-(1-aminopropylamino)octan-2-ol has a molecular weight of 202.34 g/mol, XLogP of 1.60, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopropylamino)octan-2-ol is sourced from PubChem (CID 140711640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).