2-cyclopropyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-2-amine

C16H31N3 — CID 55141867

IUPAC2-cyclopropyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-2-amine
SMILESCC(N)(CN1CCC(CN2CCCC2)CC1)C1CC1
InChIInChI=1S/C16H31N3/c1-16(17,15-4-5-15)13-19-10-6-14(7-11-19)12-18-8-2-3-9-18/h14-15H,2-13,17H2,1H3
InChIKeySVMSRHWRTRTEPU-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.92
Rot. Bonds5

About 2-cyclopropyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-2-amine

2-cyclopropyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-2-amine (PubChem CID 55141867) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-cyclopropyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-2-amine.

Molecular Properties

Compound Name2-cyclopropyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-2-amine
PubChem CID55141867
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name2-cyclopropyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-2-amine
SMILESCC(N)(CN1CCC(CN2CCCC2)CC1)C1CC1
InChIInChI=1S/C16H31N3/c1-16(17,15-4-5-15)13-19-10-6-14(7-11-19)12-18-8-2-3-9-18/h14-15H,2-13,17H2,1H3
InChIKeySVMSRHWRTRTEPU-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine
CID 66453018
2-cyclopropyl-1-(1,4-thiazepan-4-yl)propan-2-amine
CID 61419807
4-tert-butyl-1-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]piperidine
CID 160513190
(2S)-2-amino-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-2-ol
CID 140587728
2-cyclopropyl-1-(4,4-diethylpiperidin-1-yl)propan-2-amine
CID 55159305
1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-2-methylpropan-2-ol
CID 99639323
1-(cyclohexylmethyl)-4-propylazepane
CID 70936958
1-(cyclobutylmethyl)azetidine
CID 89347168
1-tert-butyl-5-[(1-tert-butylpiperidin-4-yl)methyl]-1,5-diazocane
CID 146549054
1-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropylpropan-2-amine
CID 62775737
2-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol
CID 64828005
4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine
CID 63009941

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-2-amine?
The IUPAC name of 2-cyclopropyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-2-amine (CID 55141867) is 2-cyclopropyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-2-amine.
What is the SMILES notation for 2-cyclopropyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-2-amine?
The canonical SMILES for 2-cyclopropyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-2-amine is CC(N)(CN1CCC(CN2CCCC2)CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-2-amine?
The InChIKey is SVMSRHWRTRTEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-16(17,15-4-5-15)13-19-10-6-14(7-11-19)12-18-8-2-3-9-18/h14-15H,2-13,17H2,1H3.
What are the key properties of 2-cyclopropyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-2-amine?
2-cyclopropyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-2-amine has a molecular weight of 265.44 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-2-amine is sourced from PubChem (CID 55141867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).