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

C15H26N4 — CID 107441431

IUPAC2-propan-2-yl-N'-(2-pyrrolidin-1-yl-3-pyridinyl)propane-1,3-diamine
SMILESCC(C)C(CN)CNc1cccnc1N1CCCC1
InChIInChI=1S/C15H26N4/c1-12(2)13(10-16)11-18-14-6-5-7-17-15(14)19-8-3-4-9-19/h5-7,12-13,18H,3-4,8-11,16H2,1-2H3
InChIKeyXAERQDSYXRLOMN-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.32
Rot. Bonds6

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

2-propan-2-yl-N'-(2-pyrrolidin-1-yl-3-pyridinyl)propane-1,3-diamine (PubChem CID 107441431) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-propan-2-yl-N'-(2-pyrrolidin-1-yl-3-pyridinyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-propan-2-yl-N'-(2-pyrrolidin-1-yl-3-pyridinyl)propane-1,3-diamine
PubChem CID107441431
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name2-propan-2-yl-N'-(2-pyrrolidin-1-yl-3-pyridinyl)propane-1,3-diamine
SMILESCC(C)C(CN)CNc1cccnc1N1CCCC1
InChIInChI=1S/C15H26N4/c1-12(2)13(10-16)11-18-14-6-5-7-17-15(14)19-8-3-4-9-19/h5-7,12-13,18H,3-4,8-11,16H2,1-2H3
InChIKeyXAERQDSYXRLOMN-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

2-propan-2-yl-N'-(2-pyrrolidin-1-ylphenyl)propane-1,3-diamine
CID 107441483
2-propan-2-yl-N'-(6-pyrrolidin-1-yl-3-pyridinyl)propane-1,3-diamine
CID 107441523
2-(2-pyrrolidin-1-yl-3-pyridinyl)propan-1-amine
CID 83882581
N-pentyl-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676361
N'-tert-butyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)ethane-1,2-diamine
CID 107444893
2-methyl-3-[(2-pyrrolidin-1-yl-3-pyridinyl)amino]butan-2-ol
CID 65338174
(2R)-2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 79011469
N-[(2-aminophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 66384847
3-amino-2-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 106111464
3-amino-2,2-dimethyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 115426176
4-hydroxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide
CID 79200601
2-propan-2-yl-N'-(2-pyrazol-1-ylphenyl)propane-1,3-diamine
CID 107441576

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N'-(2-pyrrolidin-1-yl-3-pyridinyl)propane-1,3-diamine?
The IUPAC name of 2-propan-2-yl-N'-(2-pyrrolidin-1-yl-3-pyridinyl)propane-1,3-diamine (CID 107441431) is 2-propan-2-yl-N'-(2-pyrrolidin-1-yl-3-pyridinyl)propane-1,3-diamine.
What is the SMILES notation for 2-propan-2-yl-N'-(2-pyrrolidin-1-yl-3-pyridinyl)propane-1,3-diamine?
The canonical SMILES for 2-propan-2-yl-N'-(2-pyrrolidin-1-yl-3-pyridinyl)propane-1,3-diamine is CC(C)C(CN)CNc1cccnc1N1CCCC1.
What is the InChIKey of 2-propan-2-yl-N'-(2-pyrrolidin-1-yl-3-pyridinyl)propane-1,3-diamine?
The InChIKey is XAERQDSYXRLOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-12(2)13(10-16)11-18-14-6-5-7-17-15(14)19-8-3-4-9-19/h5-7,12-13,18H,3-4,8-11,16H2,1-2H3.
What are the key properties of 2-propan-2-yl-N'-(2-pyrrolidin-1-yl-3-pyridinyl)propane-1,3-diamine?
2-propan-2-yl-N'-(2-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'-(2-pyrrolidin-1-yl-3-pyridinyl)propane-1,3-diamine is sourced from PubChem (CID 107441431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).