[2-methylpropyl(propyl)amino]methanol

C8H19NO — CID 54162178

IUPAC[2-methylpropyl(propyl)amino]methanol
SMILESCCCN(CO)CC(C)C
InChIInChI=1S/C8H19NO/c1-4-5-9(7-10)6-8(2)3/h8,10H,4-7H2,1-3H3
InChIKeyIHNKFZHXAGTWNS-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.30
Rot. Bonds5

About [2-methylpropyl(propyl)amino]methanol

[2-methylpropyl(propyl)amino]methanol (PubChem CID 54162178) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is [2-methylpropyl(propyl)amino]methanol.

Molecular Properties

Compound Name[2-methylpropyl(propyl)amino]methanol
PubChem CID54162178
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name[2-methylpropyl(propyl)amino]methanol
SMILESCCCN(CO)CC(C)C
InChIInChI=1S/C8H19NO/c1-4-5-9(7-10)6-8(2)3/h8,10H,4-7H2,1-3H3
InChIKeyIHNKFZHXAGTWNS-UHFFFAOYSA-N
XLogP1.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [2-methylpropyl(propyl)amino]methanol 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-[hydroxymethyl(propyl)amino]propan-2-ol
CID 22642440
1-[2-methylpropyl(propyl)amino]propan-2-ol
CID 145414853
N-ethyl-N'-(2-methylpropyl)-N,N'-dipropylethane-1,2-diamine
CID 123205995
3,3-dimethylpentane;N,N-dipropylpropan-1-amine;2-methyl-N,N-bis(2-methylpropyl)propan-1-amine
CID 54182914
N-methyl-N-(2-methylpropyl)-N',N'-dipropylethane-1,2-diamine
CID 166733537
N,N,N',N'-tetrakis(2-methylpropyl)ethane-1,2-diamine
CID 18709992
2-[3-methylbutyl(propyl)amino]acetic acid
CID 61008977
N-ethyl-3-methyl-N-propylbutan-1-amine
CID 89085287
N,N'-bis[2-[bis(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 140903521
4-[ethyl(2-methylpropyl)amino]butan-1-ol
CID 43509665
ethane;2-methyl-N-prop-1-en-2-yl-N-propylpropan-1-amine
CID 177155599
1-[2-(dipropylamino)ethyl-(2-hydroxypropyl)amino]propan-2-ol
CID 19890051

Frequently Asked Questions

What is the IUPAC name of [2-methylpropyl(propyl)amino]methanol?
The IUPAC name of [2-methylpropyl(propyl)amino]methanol (CID 54162178) is [2-methylpropyl(propyl)amino]methanol.
What is the SMILES notation for [2-methylpropyl(propyl)amino]methanol?
The canonical SMILES for [2-methylpropyl(propyl)amino]methanol is CCCN(CO)CC(C)C.
What is the InChIKey of [2-methylpropyl(propyl)amino]methanol?
The InChIKey is IHNKFZHXAGTWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-4-5-9(7-10)6-8(2)3/h8,10H,4-7H2,1-3H3.
What are the key properties of [2-methylpropyl(propyl)amino]methanol?
[2-methylpropyl(propyl)amino]methanol has a molecular weight of 145.25 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methylpropyl(propyl)amino]methanol is sourced from PubChem (CID 54162178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).