N-(3-piperidin-4-ylpropyl)cyclobutanamine

C12H24N2 — CID 62415783

IUPACN-(3-piperidin-4-ylpropyl)cyclobutanamine
SMILESC(CNC1CCC1)CC1CCNCC1
InChIInChI=1S/C12H24N2/c1-4-12(5-1)14-8-2-3-11-6-9-13-10-7-11/h11-14H,1-10H2
InChIKeyMBERXIFJQVHOIH-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.91
Rot. Bonds5

About N-(3-piperidin-4-ylpropyl)cyclobutanamine

N-(3-piperidin-4-ylpropyl)cyclobutanamine (PubChem CID 62415783) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-(3-piperidin-4-ylpropyl)cyclobutanamine.

Molecular Properties

Compound NameN-(3-piperidin-4-ylpropyl)cyclobutanamine
PubChem CID62415783
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-(3-piperidin-4-ylpropyl)cyclobutanamine
SMILESC(CNC1CCC1)CC1CCNCC1
InChIInChI=1S/C12H24N2/c1-4-12(5-1)14-8-2-3-11-6-9-13-10-7-11/h11-14H,1-10H2
InChIKeyMBERXIFJQVHOIH-UHFFFAOYSA-N
XLogP1.91
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-piperidin-4-ylethyl)cyclohexanamine
CID 61150995
N-(3-piperidin-3-ylpropyl)cyclobutanamine
CID 62416566
N-(2-piperidin-4-ylethyl)cyclopropanamine
CID 16640897
4-methyl-N-(3-piperidin-3-ylpropyl)cycloheptan-1-amine
CID 114100511
piperazine;4-(3-piperidin-4-ylpropyl)piperidine
CID 143744833
N-(piperidin-4-ylmethyl)cyclododecanamine
CID 83958053
5-(azepan-4-ylamino)pentan-1-ol
CID 107316728
N-[2-[(3S)-pyrrolidin-3-yl]ethyl]cyclopropanamine
CID 71636554
N-(6,6-dimethylheptyl)piperidin-4-amine
CID 170373818
N-(3-cyclopentylpropyl)-2-piperidin-4-ylethanesulfonamide
CID 106016429
N-(2-cycloundecylethyl)cyclodecanamine
CID 155180877
N-(2-cycloheptylethyl)cyclopentanamine
CID 114457795

Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-4-ylpropyl)cyclobutanamine?
The IUPAC name of N-(3-piperidin-4-ylpropyl)cyclobutanamine (CID 62415783) is N-(3-piperidin-4-ylpropyl)cyclobutanamine.
What is the SMILES notation for N-(3-piperidin-4-ylpropyl)cyclobutanamine?
The canonical SMILES for N-(3-piperidin-4-ylpropyl)cyclobutanamine is C(CNC1CCC1)CC1CCNCC1.
What is the InChIKey of N-(3-piperidin-4-ylpropyl)cyclobutanamine?
The InChIKey is MBERXIFJQVHOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-4-12(5-1)14-8-2-3-11-6-9-13-10-7-11/h11-14H,1-10H2.
What are the key properties of N-(3-piperidin-4-ylpropyl)cyclobutanamine?
N-(3-piperidin-4-ylpropyl)cyclobutanamine has a molecular weight of 196.34 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-4-ylpropyl)cyclobutanamine is sourced from PubChem (CID 62415783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).