1-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]cyclobutan-1-amine

C16H31N3 — CID 79841857

IUPAC1-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]cyclobutan-1-amine
SMILESNC1(CCN2CCC(CN3CCCC3)CC2)CCC1
InChIInChI=1S/C16H31N3/c17-16(6-3-7-16)8-13-18-11-4-15(5-12-18)14-19-9-1-2-10-19/h15H,1-14,17H2
InChIKeyOOHSLONVTPMQDW-UHFFFAOYSA-N
MW265.44 g/mol
LogP2.07
Rot. Bonds5

About 1-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]cyclobutan-1-amine

1-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]cyclobutan-1-amine (PubChem CID 79841857) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]cyclobutan-1-amine
PubChem CID79841857
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]cyclobutan-1-amine
SMILESNC1(CCN2CCC(CN3CCCC3)CC2)CCC1
InChIInChI=1S/C16H31N3/c17-16(6-3-7-16)8-13-18-11-4-15(5-12-18)14-19-9-1-2-10-19/h15H,1-14,17H2
InChIKeyOOHSLONVTPMQDW-UHFFFAOYSA-N
XLogP2.07
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(azocan-1-yl)ethyl]cyclohexan-1-amine
CID 64678910
1-[2-(4-ethylazepan-1-yl)ethyl]cyclopentan-1-amine
CID 64681225
1-[2-(4-cyclopropylpiperazin-1-yl)ethyl]cyclobutan-1-amine
CID 79842271
1-[2-(1-aminocyclopentyl)ethyl]-N,N-dimethylpiperidin-4-amine
CID 64677916
1-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine
CID 79854675
[1-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclobutyl]methanamine
CID 115449029
4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine
CID 63009941
1-but-3-ynyl-4-(pyrrolidin-1-ylmethyl)piperidine
CID 63656638
3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanenitrile
CID 60970004
1-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]cyclobutan-1-amine
CID 79844518
1-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclobutan-1-amine
CID 79843616
2-amino-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-ol
CID 64791262

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]cyclobutan-1-amine?
The IUPAC name of 1-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]cyclobutan-1-amine (CID 79841857) is 1-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]cyclobutan-1-amine?
The canonical SMILES for 1-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]cyclobutan-1-amine is NC1(CCN2CCC(CN3CCCC3)CC2)CCC1.
What is the InChIKey of 1-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]cyclobutan-1-amine?
The InChIKey is OOHSLONVTPMQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c17-16(6-3-7-16)8-13-18-11-4-15(5-12-18)14-19-9-1-2-10-19/h15H,1-14,17H2.
What are the key properties of 1-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]cyclobutan-1-amine?
1-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]cyclobutan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]cyclobutan-1-amine is sourced from PubChem (CID 79841857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).