1-[1-(3-methylbut-2-enyl)pyrrolidin-3-yl]piperidin-4-amine

C14H27N3 — CID 80553218

IUPAC1-[1-(3-methylbut-2-enyl)pyrrolidin-3-yl]piperidin-4-amine
SMILESCC(C)=CCN1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C14H27N3/c1-12(2)3-7-16-8-6-14(11-16)17-9-4-13(15)5-10-17/h3,13-14H,4-11,15H2,1-2H3
InChIKeyLFVHIENUEKBGTN-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.45
Rot. Bonds3

About 1-[1-(3-methylbut-2-enyl)pyrrolidin-3-yl]piperidin-4-amine

1-[1-(3-methylbut-2-enyl)pyrrolidin-3-yl]piperidin-4-amine (PubChem CID 80553218) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-[1-(3-methylbut-2-enyl)pyrrolidin-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[1-(3-methylbut-2-enyl)pyrrolidin-3-yl]piperidin-4-amine
PubChem CID80553218
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-[1-(3-methylbut-2-enyl)pyrrolidin-3-yl]piperidin-4-amine
SMILESCC(C)=CCN1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C14H27N3/c1-12(2)3-7-16-8-6-14(11-16)17-9-4-13(15)5-10-17/h3,13-14H,4-11,15H2,1-2H3
InChIKeyLFVHIENUEKBGTN-UHFFFAOYSA-N
XLogP1.45
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-Methylbut-2-en-1-yl)piperidin-4-amine
CID 43556892
1-(2-Methylprop-2-enyl)piperidin-3-amine
CID 61296494
N-ethyl-N-(3-methylbut-2-enyl)pyrrolidin-3-amine
CID 63300406
N-(3-methylbut-2-enyl)piperidin-4-amine
CID 68607564
1-[(Z)-2-(pyrrolidin-1-ylmethyl)but-2-enyl]piperazine
CID 70025152
1-[2-(Pyrrolidin-1-ylmethyl)but-2-enyl]piperazine
CID 70025155
1-[(E)-2-(imidazolidin-1-ylmethyl)but-2-enyl]piperidine
CID 70027112
1-[2-(Imidazolidin-1-ylmethyl)but-2-enyl]piperidine
CID 70027116
1-[(Z)-3-(pyrrolidin-1-ylmethyl)pent-3-en-2-yl]piperazine
CID 70027355
1-[3-(Pyrrolidin-1-ylmethyl)pent-3-en-2-yl]piperazine
CID 70027358
3-Methyl-1-pyrrolidin-3-yl-2,5-dihydropyrrole
CID 89425857
N-(3-methylbut-2-enyl)-1-propan-2-ylpiperidin-4-amine
CID 103605381

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methylbut-2-enyl)pyrrolidin-3-yl]piperidin-4-amine?
The IUPAC name of 1-[1-(3-methylbut-2-enyl)pyrrolidin-3-yl]piperidin-4-amine (CID 80553218) is 1-[1-(3-methylbut-2-enyl)pyrrolidin-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[1-(3-methylbut-2-enyl)pyrrolidin-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[1-(3-methylbut-2-enyl)pyrrolidin-3-yl]piperidin-4-amine is CC(C)=CCN1CCC(N2CCC(N)CC2)C1.
What is the InChIKey of 1-[1-(3-methylbut-2-enyl)pyrrolidin-3-yl]piperidin-4-amine?
The InChIKey is LFVHIENUEKBGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-12(2)3-7-16-8-6-14(11-16)17-9-4-13(15)5-10-17/h3,13-14H,4-11,15H2,1-2H3.
What are the key properties of 1-[1-(3-methylbut-2-enyl)pyrrolidin-3-yl]piperidin-4-amine?
1-[1-(3-methylbut-2-enyl)pyrrolidin-3-yl]piperidin-4-amine has a molecular weight of 237.39 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methylbut-2-enyl)pyrrolidin-3-yl]piperidin-4-amine is sourced from PubChem (CID 80553218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).