N'-cyclopentyl-2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine

C15H31N3 — CID 117237587

IUPACN'-cyclopentyl-2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine
SMILESCC(C)N1CCC(C(CN)CNC2CCCC2)C1
InChIInChI=1S/C15H31N3/c1-12(2)18-8-7-13(11-18)14(9-16)10-17-15-5-3-4-6-15/h12-15,17H,3-11,16H2,1-2H3
InChIKeyLXVSXKZBRHSQFY-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.82
Rot. Bonds6

About N'-cyclopentyl-2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine

N'-cyclopentyl-2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine (PubChem CID 117237587) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N'-cyclopentyl-2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine
PubChem CID117237587
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN'-cyclopentyl-2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine
SMILESCC(C)N1CCC(C(CN)CNC2CCCC2)C1
InChIInChI=1S/C15H31N3/c1-12(2)18-8-7-13(11-18)14(9-16)10-17-15-5-3-4-6-15/h12-15,17H,3-11,16H2,1-2H3
InChIKeyLXVSXKZBRHSQFY-UHFFFAOYSA-N
XLogP1.82
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclobutyl-2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine
CID 117237573
2-(cyclopentylamino)-1-(1-propan-2-ylpyrrolidin-3-yl)ethanol
CID 117237131
2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine
CID 117237616
3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
CID 117237622
2-(cyclopropylamino)-1-(1-propan-2-ylpyrrolidin-3-yl)ethanol
CID 117237105
3-(azepan-1-yl)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-amine
CID 117237666
N'-cyclopentyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine
CID 117237125
(1R)-1-[(3R)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
CID 140940785
2-(1-propan-2-ylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-1-amine
CID 117239088
N'-cyclobutyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine
CID 117237112
N-(3-methyl-2-propan-2-ylbutyl)-1-propan-2-ylpyrrolidin-3-amine
CID 102904528
N-[2-methyl-3-(4-propan-2-ylazepan-1-yl)butyl]cyclopropanamine
CID 79409298

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine?
The IUPAC name of N'-cyclopentyl-2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine (CID 117237587) is N'-cyclopentyl-2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclopentyl-2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine?
The canonical SMILES for N'-cyclopentyl-2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine is CC(C)N1CCC(C(CN)CNC2CCCC2)C1.
What is the InChIKey of N'-cyclopentyl-2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine?
The InChIKey is LXVSXKZBRHSQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-12(2)18-8-7-13(11-18)14(9-16)10-17-15-5-3-4-6-15/h12-15,17H,3-11,16H2,1-2H3.
What are the key properties of N'-cyclopentyl-2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine?
N'-cyclopentyl-2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine has a molecular weight of 253.43 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine is sourced from PubChem (CID 117237587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).