6-methyl-7-(3-piperidin-1-ylpyrrolidin-1-yl)heptan-2-amine

C17H35N3 — CID 65296095

IUPAC6-methyl-7-(3-piperidin-1-ylpyrrolidin-1-yl)heptan-2-amine
SMILESCC(N)CCCC(C)CN1CCC(N2CCCCC2)C1
InChIInChI=1S/C17H35N3/c1-15(7-6-8-16(2)18)13-19-12-9-17(14-19)20-10-4-3-5-11-20/h15-17H,3-14,18H2,1-2H3
InChIKeyZINYDAVAKVHWKA-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.70
Rot. Bonds7

About 6-methyl-7-(3-piperidin-1-ylpyrrolidin-1-yl)heptan-2-amine

6-methyl-7-(3-piperidin-1-ylpyrrolidin-1-yl)heptan-2-amine (PubChem CID 65296095) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 6-methyl-7-(3-piperidin-1-ylpyrrolidin-1-yl)heptan-2-amine.

Molecular Properties

Compound Name6-methyl-7-(3-piperidin-1-ylpyrrolidin-1-yl)heptan-2-amine
PubChem CID65296095
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name6-methyl-7-(3-piperidin-1-ylpyrrolidin-1-yl)heptan-2-amine
SMILESCC(N)CCCC(C)CN1CCC(N2CCCCC2)C1
InChIInChI=1S/C17H35N3/c1-15(7-6-8-16(2)18)13-19-12-9-17(14-19)20-10-4-3-5-11-20/h15-17H,3-14,18H2,1-2H3
InChIKeyZINYDAVAKVHWKA-UHFFFAOYSA-N
XLogP2.70
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-2-amine
CID 63169480
(2S)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine
CID 103934640
6-methyl-7-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)heptan-2-amine
CID 79170849
4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine
CID 61215952
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-3-methylbutan-1-amine
CID 80544084
7-[3-(methoxymethyl)pyrrolidin-1-yl]-6-methylheptan-2-amine
CID 65296099
(2S)-1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-amine
CID 103934754
(2R)-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propan-2-amine
CID 103934627
6-methyl-7-(4-propylpiperidin-1-yl)heptan-2-amine
CID 65295732
1-[1-(3-methylbutyl)pyrrolidin-3-yl]piperidine
CID 155151188
1-(3-piperidin-1-ylpyrrolidin-1-yl)butan-2-ol
CID 63170952
4-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-2-amine
CID 64707229

Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-(3-piperidin-1-ylpyrrolidin-1-yl)heptan-2-amine?
The IUPAC name of 6-methyl-7-(3-piperidin-1-ylpyrrolidin-1-yl)heptan-2-amine (CID 65296095) is 6-methyl-7-(3-piperidin-1-ylpyrrolidin-1-yl)heptan-2-amine.
What is the SMILES notation for 6-methyl-7-(3-piperidin-1-ylpyrrolidin-1-yl)heptan-2-amine?
The canonical SMILES for 6-methyl-7-(3-piperidin-1-ylpyrrolidin-1-yl)heptan-2-amine is CC(N)CCCC(C)CN1CCC(N2CCCCC2)C1.
What is the InChIKey of 6-methyl-7-(3-piperidin-1-ylpyrrolidin-1-yl)heptan-2-amine?
The InChIKey is ZINYDAVAKVHWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-15(7-6-8-16(2)18)13-19-12-9-17(14-19)20-10-4-3-5-11-20/h15-17H,3-14,18H2,1-2H3.
What are the key properties of 6-methyl-7-(3-piperidin-1-ylpyrrolidin-1-yl)heptan-2-amine?
6-methyl-7-(3-piperidin-1-ylpyrrolidin-1-yl)heptan-2-amine has a molecular weight of 281.49 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-(3-piperidin-1-ylpyrrolidin-1-yl)heptan-2-amine is sourced from PubChem (CID 65296095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).