N-propyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexan-3-amine

C17H35N3 — CID 106799813

IUPACN-propyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexan-3-amine
SMILESCCCNC(CC)CCCN1CCC(N2CCCC2)C1
InChIInChI=1S/C17H35N3/c1-3-10-18-16(4-2)8-7-11-19-14-9-17(15-19)20-12-5-6-13-20/h16-18H,3-15H2,1-2H3
InChIKeyMAOAGELCMHKRPR-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.71
Rot. Bonds9

About N-propyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexan-3-amine

N-propyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexan-3-amine (PubChem CID 106799813) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is N-propyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexan-3-amine.

Molecular Properties

Compound NameN-propyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexan-3-amine
PubChem CID106799813
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC NameN-propyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexan-3-amine
SMILESCCCNC(CC)CCCN1CCC(N2CCCC2)C1
InChIInChI=1S/C17H35N3/c1-3-10-18-16(4-2)8-7-11-19-14-9-17(15-19)20-12-5-6-13-20/h16-18H,3-15H2,1-2H3
InChIKeyMAOAGELCMHKRPR-UHFFFAOYSA-N
XLogP2.71
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(azepan-1-yl)-N-propylhexan-3-amine
CID 106799197
N-methyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine
CID 63166994
6-(4-ethyl-3-methylpiperazin-1-yl)-N-propylhexan-3-amine
CID 106799849
5-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpentan-2-amine
CID 63169783
6-(2-methylpiperidin-1-yl)-N-propylhexan-3-amine
CID 106799179
N-[2-(3-morpholin-4-ylpyrrolidin-1-yl)ethyl]pentan-3-amine
CID 63167334
6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-propylhexan-2-amine
CID 63151141
5-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-2-amine
CID 63169480
6-(4-cyclopropylpiperazin-1-yl)-N-ethylhexan-3-amine
CID 106799531
1-cyclopropyl-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]ethanamine
CID 63167458
6-(4-piperidin-1-ylpiperidin-1-yl)hexan-3-ol
CID 106802309
1-[1-(3-methylbutyl)pyrrolidin-3-yl]piperidine
CID 155151188

Frequently Asked Questions

What is the IUPAC name of N-propyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexan-3-amine?
The IUPAC name of N-propyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexan-3-amine (CID 106799813) is N-propyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexan-3-amine.
What is the SMILES notation for N-propyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexan-3-amine?
The canonical SMILES for N-propyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexan-3-amine is CCCNC(CC)CCCN1CCC(N2CCCC2)C1.
What is the InChIKey of N-propyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexan-3-amine?
The InChIKey is MAOAGELCMHKRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-3-10-18-16(4-2)8-7-11-19-14-9-17(15-19)20-12-5-6-13-20/h16-18H,3-15H2,1-2H3.
What are the key properties of N-propyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexan-3-amine?
N-propyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexan-3-amine has a molecular weight of 281.49 g/mol, XLogP of 2.71, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexan-3-amine is sourced from PubChem (CID 106799813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).