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

C16H27N3 — CID 107441483

IUPAC2-propan-2-yl-N'-(2-pyrrolidin-1-ylphenyl)propane-1,3-diamine
SMILESCC(C)C(CN)CNc1ccccc1N1CCCC1
InChIInChI=1S/C16H27N3/c1-13(2)14(11-17)12-18-15-7-3-4-8-16(15)19-9-5-6-10-19/h3-4,7-8,13-14,18H,5-6,9-12,17H2,1-2H3
InChIKeyJZWRGYYHZUFAIW-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.93
Rot. Bonds6

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

2-propan-2-yl-N'-(2-pyrrolidin-1-ylphenyl)propane-1,3-diamine (PubChem CID 107441483) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-propan-2-yl-N'-(2-pyrrolidin-1-ylphenyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-propan-2-yl-N'-(2-pyrrolidin-1-ylphenyl)propane-1,3-diamine
PubChem CID107441483
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-propan-2-yl-N'-(2-pyrrolidin-1-ylphenyl)propane-1,3-diamine
SMILESCC(C)C(CN)CNc1ccccc1N1CCCC1
InChIInChI=1S/C16H27N3/c1-13(2)14(11-17)12-18-15-7-3-4-8-16(15)19-9-5-6-10-19/h3-4,7-8,13-14,18H,5-6,9-12,17H2,1-2H3
InChIKeyJZWRGYYHZUFAIW-UHFFFAOYSA-N
XLogP2.93
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-propan-2-yl-N'-(2-pyrrolidin-1-yl-3-pyridinyl)propane-1,3-diamine
CID 107441431
1-[2-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]pyrrolidin-2-one
CID 107441227
2-propan-2-yl-N'-(2-pyrazol-1-ylphenyl)propane-1,3-diamine
CID 107441576
N-(3-methoxy-2-methylpropyl)-2-pyrrolidin-1-ylaniline
CID 116500925
2-propan-2-yl-N'-(6-pyrrolidin-1-yl-3-pyridinyl)propane-1,3-diamine
CID 107441523
N'-(2-cyclopentylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107441748
5-amino-4-methyl-N-(2-piperidin-1-ylphenyl)pentanamide
CID 82014227
N-(2-methylpentan-3-yl)-2-pyrrolidin-1-ylaniline
CID 43781177
2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylbenzenesulfonamide
CID 107441821
N-(1-methoxypropan-2-yl)-2-piperidin-1-ylaniline
CID 62534686
2-[2-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]sulfanylacetamide
CID 107441649
N-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 66117239

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N'-(2-pyrrolidin-1-ylphenyl)propane-1,3-diamine?
The IUPAC name of 2-propan-2-yl-N'-(2-pyrrolidin-1-ylphenyl)propane-1,3-diamine (CID 107441483) is 2-propan-2-yl-N'-(2-pyrrolidin-1-ylphenyl)propane-1,3-diamine.
What is the SMILES notation for 2-propan-2-yl-N'-(2-pyrrolidin-1-ylphenyl)propane-1,3-diamine?
The canonical SMILES for 2-propan-2-yl-N'-(2-pyrrolidin-1-ylphenyl)propane-1,3-diamine is CC(C)C(CN)CNc1ccccc1N1CCCC1.
What is the InChIKey of 2-propan-2-yl-N'-(2-pyrrolidin-1-ylphenyl)propane-1,3-diamine?
The InChIKey is JZWRGYYHZUFAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-13(2)14(11-17)12-18-15-7-3-4-8-16(15)19-9-5-6-10-19/h3-4,7-8,13-14,18H,5-6,9-12,17H2,1-2H3.
What are the key properties of 2-propan-2-yl-N'-(2-pyrrolidin-1-ylphenyl)propane-1,3-diamine?
2-propan-2-yl-N'-(2-pyrrolidin-1-ylphenyl)propane-1,3-diamine has a molecular weight of 261.41 g/mol, XLogP of 2.93, 6 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-ylphenyl)propane-1,3-diamine is sourced from PubChem (CID 107441483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).