2-propan-2-yl-N'-(6-pyrrolidin-1-yl-3-pyridinyl)propane-1,3-diamine

C15H26N4 — CID 107441523

IUPAC2-propan-2-yl-N'-(6-pyrrolidin-1-yl-3-pyridinyl)propane-1,3-diamine
SMILESCC(C)C(CN)CNc1ccc(N2CCCC2)nc1
InChIInChI=1S/C15H26N4/c1-12(2)13(9-16)10-17-14-5-6-15(18-11-14)19-7-3-4-8-19/h5-6,11-13,17H,3-4,7-10,16H2,1-2H3
InChIKeyGCCAXMXJIYJIDU-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.32
Rot. Bonds6

About 2-propan-2-yl-N'-(6-pyrrolidin-1-yl-3-pyridinyl)propane-1,3-diamine

2-propan-2-yl-N'-(6-pyrrolidin-1-yl-3-pyridinyl)propane-1,3-diamine (PubChem CID 107441523) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-propan-2-yl-N'-(6-pyrrolidin-1-yl-3-pyridinyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-propan-2-yl-N'-(6-pyrrolidin-1-yl-3-pyridinyl)propane-1,3-diamine
PubChem CID107441523
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name2-propan-2-yl-N'-(6-pyrrolidin-1-yl-3-pyridinyl)propane-1,3-diamine
SMILESCC(C)C(CN)CNc1ccc(N2CCCC2)nc1
InChIInChI=1S/C15H26N4/c1-12(2)13(9-16)10-17-14-5-6-15(18-11-14)19-7-3-4-8-19/h5-6,11-13,17H,3-4,7-10,16H2,1-2H3
InChIKeyGCCAXMXJIYJIDU-UHFFFAOYSA-N
XLogP2.32
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylbutyl)-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689479
N-ethyl-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689606
(6-piperidin-1-yl-3-pyridinyl)hydrazine
CID 55281305
N-pentan-2-yl-6-piperidin-1-ylpyridin-3-amine
CID 43690334
2-(aminomethyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 65224657
N-[(6-methyl-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 104739555
2-(aminomethyl)-N-(6-piperidin-1-yl-3-pyridinyl)butanamide
CID 65224805
4-amino-2-methyl-N-(6-piperidin-1-yl-3-pyridinyl)butanamide
CID 80543440
3-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 60836509
(2R)-2-amino-3,3-dimethyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 103928713
N-(1-cyclobutylpropan-2-yl)-6-pyrrolidin-1-ylpyridin-3-amine
CID 115922079
N-(1-ethoxypropan-2-yl)-6-pyrrolidin-1-ylpyridin-3-amine
CID 115922081

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N'-(6-pyrrolidin-1-yl-3-pyridinyl)propane-1,3-diamine?
The IUPAC name of 2-propan-2-yl-N'-(6-pyrrolidin-1-yl-3-pyridinyl)propane-1,3-diamine (CID 107441523) is 2-propan-2-yl-N'-(6-pyrrolidin-1-yl-3-pyridinyl)propane-1,3-diamine.
What is the SMILES notation for 2-propan-2-yl-N'-(6-pyrrolidin-1-yl-3-pyridinyl)propane-1,3-diamine?
The canonical SMILES for 2-propan-2-yl-N'-(6-pyrrolidin-1-yl-3-pyridinyl)propane-1,3-diamine is CC(C)C(CN)CNc1ccc(N2CCCC2)nc1.
What is the InChIKey of 2-propan-2-yl-N'-(6-pyrrolidin-1-yl-3-pyridinyl)propane-1,3-diamine?
The InChIKey is GCCAXMXJIYJIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-12(2)13(9-16)10-17-14-5-6-15(18-11-14)19-7-3-4-8-19/h5-6,11-13,17H,3-4,7-10,16H2,1-2H3.
What are the key properties of 2-propan-2-yl-N'-(6-pyrrolidin-1-yl-3-pyridinyl)propane-1,3-diamine?
2-propan-2-yl-N'-(6-pyrrolidin-1-yl-3-pyridinyl)propane-1,3-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N'-(6-pyrrolidin-1-yl-3-pyridinyl)propane-1,3-diamine is sourced from PubChem (CID 107441523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).