3-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]cyclobutan-1-amine

C14H28N2 — CID 104859624

IUPAC3-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]cyclobutan-1-amine
SMILESCC1CCN(CCCNC2CC(C)C2)CC1
InChIInChI=1S/C14H28N2/c1-12-4-8-16(9-5-12)7-3-6-15-14-10-13(2)11-14/h12-15H,3-11H2,1-2H3
InChIKeyVDHZECOJKGCPEP-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.50
Rot. Bonds5

About 3-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]cyclobutan-1-amine

3-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]cyclobutan-1-amine (PubChem CID 104859624) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 3-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]cyclobutan-1-amine
PubChem CID104859624
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name3-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]cyclobutan-1-amine
SMILESCC1CCN(CCCNC2CC(C)C2)CC1
InChIInChI=1S/C14H28N2/c1-12-4-8-16(9-5-12)7-3-6-15-14-10-13(2)11-14/h12-15H,3-11H2,1-2H3
InChIKeyVDHZECOJKGCPEP-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-methylpiperidin-1-yl)propyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103776314
3-methyl-N-(3-piperidin-1-ylpropyl)cyclohexan-1-amine
CID 43181773
N-[3-(4-methylpiperidin-1-yl)propyl]thian-3-amine
CID 62871060
cis-(1S,3R)-3-methyl-N-(3-morpholin-4-ylpropyl)cyclopentan-1-amine
CID 30980577
5,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]thian-3-amine
CID 79955873
3-(4-methylpiperidin-1-yl)-N-propan-2-ylpropan-1-amine
CID 28679951
3,4-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclohexan-1-amine
CID 64746013
2-ethyl-N-[3-(4-methylpiperidin-1-yl)propyl]cyclopentan-1-amine
CID 113259931
N-[3-(4-ethylpiperidin-1-yl)propyl]cyclopentanamine
CID 55087537
3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutan-1-amine
CID 104859771
4-methyl-N-[2-(3-methylpyrrolidin-1-yl)ethyl]cyclohexan-1-amine
CID 62561809
3-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentan-1-amine
CID 64501657

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]cyclobutan-1-amine?
The IUPAC name of 3-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]cyclobutan-1-amine (CID 104859624) is 3-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]cyclobutan-1-amine.
What is the SMILES notation for 3-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]cyclobutan-1-amine?
The canonical SMILES for 3-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]cyclobutan-1-amine is CC1CCN(CCCNC2CC(C)C2)CC1.
What is the InChIKey of 3-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]cyclobutan-1-amine?
The InChIKey is VDHZECOJKGCPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-12-4-8-16(9-5-12)7-3-6-15-14-10-13(2)11-14/h12-15H,3-11H2,1-2H3.
What are the key properties of 3-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]cyclobutan-1-amine?
3-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]cyclobutan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]cyclobutan-1-amine is sourced from PubChem (CID 104859624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).