butane;N,1-dimethylpiperidin-3-amine

C11H26N2 — CID 91437867

IUPACbutane;N,1-dimethylpiperidin-3-amine
SMILESCCCC.CNC1CCCN(C)C1
InChIInChI=1S/C7H16N2.C4H10/c1-8-7-4-3-5-9(2)6-7;1-3-4-2/h7-8H,3-6H2,1-2H3;3-4H2,1-2H3
InChIKeyZFEGUDWCJHNSRA-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.11
Rot. Bonds2

About butane;N,1-dimethylpiperidin-3-amine

butane;N,1-dimethylpiperidin-3-amine (PubChem CID 91437867) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is butane;N,1-dimethylpiperidin-3-amine.

Molecular Properties

Compound Namebutane;N,1-dimethylpiperidin-3-amine
PubChem CID91437867
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Namebutane;N,1-dimethylpiperidin-3-amine
SMILESCCCC.CNC1CCCN(C)C1
InChIInChI=1S/C7H16N2.C4H10/c1-8-7-4-3-5-9(2)6-7;1-3-4-2/h7-8H,3-6H2,1-2H3;3-4H2,1-2H3
InChIKeyZFEGUDWCJHNSRA-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze butane;N,1-dimethylpiperidin-3-amine 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

N,1-dimethylpiperidin-3-amine;ethanol
CID 91223318
N,1-dimethylpiperidin-3-amine;propan-2-one
CID 91110741
N-(1-methylpiperidin-3-yl)propane-1-sulfonamide
CID 61384296
1-butyl-N-methylpiperidin-3-amine
CID 62534430
N-butan-2-yl-1-methylpiperidin-3-amine
CID 61211214
N-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 115197757
2-ethyl-N-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 115254845
1-methyl-N-(2-methylbutyl)piperidin-3-amine
CID 61211786
1-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidin-3-amine
CID 62657172
N-methyl-4-[(1-methylpiperidin-3-yl)methyl]cyclohexan-1-amine
CID 116926394
N-(2-chloroethyl)-1-methylpiperidin-3-amine
CID 115214671
N,1-dimethylazepan-4-amine;molecular hydrogen
CID 156821685

Frequently Asked Questions

What is the IUPAC name of butane;N,1-dimethylpiperidin-3-amine?
The IUPAC name of butane;N,1-dimethylpiperidin-3-amine (CID 91437867) is butane;N,1-dimethylpiperidin-3-amine.
What is the SMILES notation for butane;N,1-dimethylpiperidin-3-amine?
The canonical SMILES for butane;N,1-dimethylpiperidin-3-amine is CCCC.CNC1CCCN(C)C1.
What is the InChIKey of butane;N,1-dimethylpiperidin-3-amine?
The InChIKey is ZFEGUDWCJHNSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.C4H10/c1-8-7-4-3-5-9(2)6-7;1-3-4-2/h7-8H,3-6H2,1-2H3;3-4H2,1-2H3.
What are the key properties of butane;N,1-dimethylpiperidin-3-amine?
butane;N,1-dimethylpiperidin-3-amine has a molecular weight of 186.34 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;N,1-dimethylpiperidin-3-amine is sourced from PubChem (CID 91437867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).