1-(1-hept-6-enylpyrrolidin-3-yl)piperidin-4-amine

C16H31N3 — CID 107008057

IUPAC1-(1-hept-6-enylpyrrolidin-3-yl)piperidin-4-amine
SMILESC=CCCCCCN1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C16H31N3/c1-2-3-4-5-6-10-18-11-9-16(14-18)19-12-7-15(17)8-13-19/h2,15-16H,1,3-14,17H2
InChIKeyCYXOQLWYWZOILU-UHFFFAOYSA-N
MW265.44 g/mol
LogP2.23
Rot. Bonds7

About 1-(1-hept-6-enylpyrrolidin-3-yl)piperidin-4-amine

1-(1-hept-6-enylpyrrolidin-3-yl)piperidin-4-amine (PubChem CID 107008057) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-(1-hept-6-enylpyrrolidin-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(1-hept-6-enylpyrrolidin-3-yl)piperidin-4-amine
PubChem CID107008057
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-(1-hept-6-enylpyrrolidin-3-yl)piperidin-4-amine
SMILESC=CCCCCCN1CCC(N2CCC(N)CC2)C1
InChIInChI=1S/C16H31N3/c1-2-3-4-5-6-10-18-11-9-16(14-18)19-12-7-15(17)8-13-19/h2,15-16H,1,3-14,17H2
InChIKeyCYXOQLWYWZOILU-UHFFFAOYSA-N
XLogP2.23
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-hept-6-enylpyrrolidin-3-amine
CID 107008063
1-(1-octylpyrrolidin-3-yl)piperidin-4-amine
CID 80553977
1-(1-prop-2-enylpyrrolidin-3-yl)piperidin-4-amine
CID 80553821
(3S)-1-pent-4-enylpyrrolidin-3-amine
CID 81491802
5-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]pentanenitrile
CID 80553177
1-[1-(3-ethylsulfanylpropyl)pyrrolidin-3-yl]piperidin-4-amine
CID 113473944
1-[1-(3-methoxypropyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80552987
1-[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553769
3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]propanoic acid
CID 80553786
1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
CID 82885892
1-[1-(2-ethylsulfanylethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 113473943
1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]piperidin-4-amine
CID 79328370

Frequently Asked Questions

What is the IUPAC name of 1-(1-hept-6-enylpyrrolidin-3-yl)piperidin-4-amine?
The IUPAC name of 1-(1-hept-6-enylpyrrolidin-3-yl)piperidin-4-amine (CID 107008057) is 1-(1-hept-6-enylpyrrolidin-3-yl)piperidin-4-amine.
What is the SMILES notation for 1-(1-hept-6-enylpyrrolidin-3-yl)piperidin-4-amine?
The canonical SMILES for 1-(1-hept-6-enylpyrrolidin-3-yl)piperidin-4-amine is C=CCCCCCN1CCC(N2CCC(N)CC2)C1.
What is the InChIKey of 1-(1-hept-6-enylpyrrolidin-3-yl)piperidin-4-amine?
The InChIKey is CYXOQLWYWZOILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-2-3-4-5-6-10-18-11-9-16(14-18)19-12-7-15(17)8-13-19/h2,15-16H,1,3-14,17H2.
What are the key properties of 1-(1-hept-6-enylpyrrolidin-3-yl)piperidin-4-amine?
1-(1-hept-6-enylpyrrolidin-3-yl)piperidin-4-amine has a molecular weight of 265.44 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hept-6-enylpyrrolidin-3-yl)piperidin-4-amine is sourced from PubChem (CID 107008057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).