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

C10H23N3 — CID 117237616

IUPAC2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine
SMILESCC(C)N1CCC(C(CN)CN)C1
InChIInChI=1S/C10H23N3/c1-8(2)13-4-3-9(7-13)10(5-11)6-12/h8-10H,3-7,11-12H2,1-2H3
InChIKeyXMAHHTCYVDCMGW-UHFFFAOYSA-N
MW185.31 g/mol
LogP0.25
Rot. Bonds4

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

2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine (PubChem CID 117237616) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine
PubChem CID117237616
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine
SMILESCC(C)N1CCC(C(CN)CN)C1
InChIInChI=1S/C10H23N3/c1-8(2)13-4-3-9(7-13)10(5-11)6-12/h8-10H,3-7,11-12H2,1-2H3
InChIKeyXMAHHTCYVDCMGW-UHFFFAOYSA-N
XLogP0.25
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
CID 117237622
3-(azepan-1-yl)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-amine
CID 117237666
N'-cyclobutyl-2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine
CID 117237573
N'-cyclopentyl-2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine
CID 117237587
(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
ethane;1-(1-propan-2-ylpyrrolidin-3-yl)ethanol
CID 176573515
3-methylsulfanyl-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
CID 117238037
(1R)-2-isocyano-1-[(3R)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
CID 140940860
3-[3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propoxy]phenol
CID 117237909
2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
CID 94058250
1,4-di(propan-2-yl)piperidine
CID 21303253

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine?
The IUPAC name of 2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine (CID 117237616) is 2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine.
What is the SMILES notation for 2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine?
The canonical SMILES for 2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine is CC(C)N1CCC(C(CN)CN)C1.
What is the InChIKey of 2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine?
The InChIKey is XMAHHTCYVDCMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-8(2)13-4-3-9(7-13)10(5-11)6-12/h8-10H,3-7,11-12H2,1-2H3.
What are the key properties of 2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine?
2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine has a molecular weight of 185.31 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpyrrolidin-3-yl)propane-1,3-diamine is sourced from PubChem (CID 117237616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).