1-amino-3-(5-methylhexylamino)propan-2-ol

C10H24N2O — CID 176836498

IUPAC1-amino-3-(5-methylhexylamino)propan-2-ol
SMILESCC(C)CCCCNCC(O)CN
InChIInChI=1S/C10H24N2O/c1-9(2)5-3-4-6-12-8-10(13)7-11/h9-10,12-13H,3-8,11H2,1-2H3
InChIKeyYRRVESWWNDVJGD-UHFFFAOYSA-N
MW188.31 g/mol
LogP0.72
Rot. Bonds8

About 1-amino-3-(5-methylhexylamino)propan-2-ol

1-amino-3-(5-methylhexylamino)propan-2-ol (PubChem CID 176836498) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-amino-3-(5-methylhexylamino)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(5-methylhexylamino)propan-2-ol
PubChem CID176836498
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name1-amino-3-(5-methylhexylamino)propan-2-ol
SMILESCC(C)CCCCNCC(O)CN
InChIInChI=1S/C10H24N2O/c1-9(2)5-3-4-6-12-8-10(13)7-11/h9-10,12-13H,3-8,11H2,1-2H3
InChIKeyYRRVESWWNDVJGD-UHFFFAOYSA-N
XLogP0.72
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-amino-3-(5-methylhexylamino)propan-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

(2S)-3-(7-methyloctylamino)propane-1,2-diol
CID 107815051
1-(12-methyltridecylamino)undecan-2-ol
CID 87220932
2-(6-methylheptylamino)ethane-1,1-diol
CID 175199502
1-ethoxy-3-(5-methylhexylamino)propan-2-ol
CID 115325282
1-amino-3-[3-[(3-amino-2-hydroxypropyl)-methylamino]propylamino]propan-2-ol
CID 155485180
N'-(7-methyloctyl)-2-propylpropane-1,3-diamine
CID 107815762
1-(7-methyloctylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 103600467
1-(2-aminoethylamino)-3-(7-methyloctoxy)propan-2-ol
CID 175928997
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
1-(5-methylhexylamino)-4-phenylbutan-2-ol
CID 90708776
methyl 2-methyl-3-(5-methylhexylamino)propanoate
CID 115325726

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(5-methylhexylamino)propan-2-ol?
The IUPAC name of 1-amino-3-(5-methylhexylamino)propan-2-ol (CID 176836498) is 1-amino-3-(5-methylhexylamino)propan-2-ol.
What is the SMILES notation for 1-amino-3-(5-methylhexylamino)propan-2-ol?
The canonical SMILES for 1-amino-3-(5-methylhexylamino)propan-2-ol is CC(C)CCCCNCC(O)CN.
What is the InChIKey of 1-amino-3-(5-methylhexylamino)propan-2-ol?
The InChIKey is YRRVESWWNDVJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-9(2)5-3-4-6-12-8-10(13)7-11/h9-10,12-13H,3-8,11H2,1-2H3.
What are the key properties of 1-amino-3-(5-methylhexylamino)propan-2-ol?
1-amino-3-(5-methylhexylamino)propan-2-ol has a molecular weight of 188.31 g/mol, XLogP of 0.72, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(5-methylhexylamino)propan-2-ol is sourced from PubChem (CID 176836498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).