butan-1-ol;N,N-dimethylmethanamine

C7H19NO — CID 87409376

IUPACbutan-1-ol;N,N-dimethylmethanamine
SMILESCCCCO.CN(C)C
InChIInChI=1S/C4H10O.C3H9N/c1-2-3-4-5;1-4(2)3/h5H,2-4H2,1H3;1-3H3
InChIKeyHXPNKRFHGJMCJT-UHFFFAOYSA-N
MW133.24 g/mol
LogP0.96
Rot. Bonds2

About butan-1-ol;N,N-dimethylmethanamine

butan-1-ol;N,N-dimethylmethanamine (PubChem CID 87409376) has the molecular formula C7H19NO and a molecular weight of 133.24 g/mol. Its IUPAC name is butan-1-ol;N,N-dimethylmethanamine.

Molecular Properties

Compound Namebutan-1-ol;N,N-dimethylmethanamine
PubChem CID87409376
Molecular FormulaC7H19NO
Molecular Weight133.24 g/mol
Exact Mass133.15
IUPAC Namebutan-1-ol;N,N-dimethylmethanamine
SMILESCCCCO.CN(C)C
InChIInChI=1S/C4H10O.C3H9N/c1-2-3-4-5;1-4(2)3/h5H,2-4H2,1H3;1-3H3
InChIKeyHXPNKRFHGJMCJT-UHFFFAOYSA-N
XLogP0.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.24
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze butan-1-ol;N,N-dimethylmethanamine 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

butan-1-ol
CID 20532113
(1,2,3,4-13C4)butan-1-ol
CID 71309697
butan-1-ol;nickel
CID 22477011
sodium butan-1-ol
CID 19366054
butane;butan-1-ol
CID 19774960
tris(butan-1-ol);zirconium
CID 25200102
butan-1-ol;cadmium
CID 154199105
butan-1-ol;methanol
CID 23065762
butan-1-ol;plumbane
CID 173408910
tetrakis(butan-1-ol);cerium
CID 87109841
pentakis(butan-1-ol);vanadium
CID 14228635
tris(butan-1-ol);titanium;bromide
CID 20523364

Frequently Asked Questions

What is the IUPAC name of butan-1-ol;N,N-dimethylmethanamine?
The IUPAC name of butan-1-ol;N,N-dimethylmethanamine (CID 87409376) is butan-1-ol;N,N-dimethylmethanamine.
What is the SMILES notation for butan-1-ol;N,N-dimethylmethanamine?
The canonical SMILES for butan-1-ol;N,N-dimethylmethanamine is CCCCO.CN(C)C.
What is the InChIKey of butan-1-ol;N,N-dimethylmethanamine?
The InChIKey is HXPNKRFHGJMCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C3H9N/c1-2-3-4-5;1-4(2)3/h5H,2-4H2,1H3;1-3H3.
What are the key properties of butan-1-ol;N,N-dimethylmethanamine?
butan-1-ol;N,N-dimethylmethanamine has a molecular weight of 133.24 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;N,N-dimethylmethanamine is sourced from PubChem (CID 87409376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).