2-propan-2-yl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine

C12H27N3 — CID 107441168

IUPAC2-propan-2-yl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
SMILESCC(C)C(CN)CNCCN1CCCC1
InChIInChI=1S/C12H27N3/c1-11(2)12(9-13)10-14-5-8-15-6-3-4-7-15/h11-12,14H,3-10,13H2,1-2H3
InChIKeyAAZGKOSYXHJMLE-UHFFFAOYSA-N
MW213.37 g/mol
LogP0.90
Rot. Bonds7

About 2-propan-2-yl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine

2-propan-2-yl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine (PubChem CID 107441168) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 2-propan-2-yl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-propan-2-yl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
PubChem CID107441168
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name2-propan-2-yl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
SMILESCC(C)C(CN)CNCCN1CCCC1
InChIInChI=1S/C12H27N3/c1-11(2)12(9-13)10-14-5-8-15-6-3-4-7-15/h11-12,14H,3-10,13H2,1-2H3
InChIKeyAAZGKOSYXHJMLE-UHFFFAOYSA-N
XLogP0.90
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(azocan-1-yl)ethyl]-2-methylpropan-1-amine
CID 62419801
1-[2-(azepan-1-yl)ethylamino]propan-2-ol
CID 104594544
2-methyl-3-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 107911598
2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 103387444
2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 19869583
2-methylsulfonyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 104519156
methyl (2S)-2-methyl-3-(2-piperidin-1-ylethylamino)propanoate
CID 94133680
3-methyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine
CID 28653628
N'-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441091
N'-[2-(cyclohexen-1-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441126
N'-[3-(2,3-dihydroindol-1-yl)propyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441271
N'-[2-(azepan-1-yl)ethyl]ethane-1,2-diamine;trihydrochloride
CID 119031355

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine?
The IUPAC name of 2-propan-2-yl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine (CID 107441168) is 2-propan-2-yl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine.
What is the SMILES notation for 2-propan-2-yl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine?
The canonical SMILES for 2-propan-2-yl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine is CC(C)C(CN)CNCCN1CCCC1.
What is the InChIKey of 2-propan-2-yl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine?
The InChIKey is AAZGKOSYXHJMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-11(2)12(9-13)10-14-5-8-15-6-3-4-7-15/h11-12,14H,3-10,13H2,1-2H3.
What are the key properties of 2-propan-2-yl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine?
2-propan-2-yl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine has a molecular weight of 213.37 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine is sourced from PubChem (CID 107441168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).