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

C14H29N3 — CID 117237573

IUPACN'-cyclobutyl-2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine
SMILESCC(C)N1CCC(C(CN)CNC2CCC2)C1
InChIInChI=1S/C14H29N3/c1-11(2)17-7-6-12(10-17)13(8-15)9-16-14-4-3-5-14/h11-14,16H,3-10,15H2,1-2H3
InChIKeyYDJCUPNLBMJWOV-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.43
Rot. Bonds6

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

N'-cyclobutyl-2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine (PubChem CID 117237573) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N'-cyclobutyl-2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclobutyl-2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine
PubChem CID117237573
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN'-cyclobutyl-2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine
SMILESCC(C)N1CCC(C(CN)CNC2CCC2)C1
InChIInChI=1S/C14H29N3/c1-11(2)17-7-6-12(10-17)13(8-15)9-16-14-4-3-5-14/h11-14,16H,3-10,15H2,1-2H3
InChIKeyYDJCUPNLBMJWOV-UHFFFAOYSA-N
XLogP1.43
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclopentyl-2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine
CID 117237587
2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine
CID 117237616
2-(cyclopentylamino)-1-(1-propan-2-ylpyrrolidin-3-yl)ethanol
CID 117237131
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'-cyclobutyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine
CID 117237112
(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'-cyclopentyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine
CID 117237125
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'-cyclobutyl-2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine?
The IUPAC name of N'-cyclobutyl-2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine (CID 117237573) is N'-cyclobutyl-2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclobutyl-2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine?
The canonical SMILES for N'-cyclobutyl-2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine is CC(C)N1CCC(C(CN)CNC2CCC2)C1.
What is the InChIKey of N'-cyclobutyl-2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine?
The InChIKey is YDJCUPNLBMJWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-11(2)17-7-6-12(10-17)13(8-15)9-16-14-4-3-5-14/h11-14,16H,3-10,15H2,1-2H3.
What are the key properties of N'-cyclobutyl-2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine?
N'-cyclobutyl-2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine has a molecular weight of 239.41 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclobutyl-2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine is sourced from PubChem (CID 117237573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).