2-N-propan-2-yl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine

C12H21N3 — CID 112709140

IUPAC2-N-propan-2-yl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
SMILESCC(C)N(Cc1cccnc1)C(C)CN
InChIInChI=1S/C12H21N3/c1-10(2)15(11(3)7-13)9-12-5-4-6-14-8-12/h4-6,8,10-11H,7,9,13H2,1-3H3
InChIKeyPMUMJQCDRRGBDJ-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.64
Rot. Bonds5

About 2-N-propan-2-yl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine

2-N-propan-2-yl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine (PubChem CID 112709140) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-N-propan-2-yl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-propan-2-yl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
PubChem CID112709140
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-N-propan-2-yl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
SMILESCC(C)N(Cc1cccnc1)C(C)CN
InChIInChI=1S/C12H21N3/c1-10(2)15(11(3)7-13)9-12-5-4-6-14-8-12/h4-6,8,10-11H,7,9,13H2,1-3H3
InChIKeyPMUMJQCDRRGBDJ-UHFFFAOYSA-N
XLogP1.64
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 112709139
2-N-methyl-2-N-(2-pyridin-3-ylethyl)propane-1,2-diamine
CID 112708855
3-N-methyl-3-N-(pyridin-3-ylmethyl)propane-1,2,3-triamine
CID 115119904
azane;ethane;3-ethylpyridine;pyridin-3-ylmethanamine
CID 169427277
3-(aminomethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide
CID 81087098
2-N,3,3-trimethyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine
CID 61324757
N-[2-(2-aminoethoxy)ethyl]-N-(pyridin-3-ylmethyl)propan-2-amine
CID 114276433
N'-propyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 61348602
[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]methanamine
CID 43248750
3-amino-2,2-dimethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)propanamide
CID 113307589
N-ethyl-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 174517903
(2R)-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 104868129

Frequently Asked Questions

What is the IUPAC name of 2-N-propan-2-yl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine?
The IUPAC name of 2-N-propan-2-yl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine (CID 112709140) is 2-N-propan-2-yl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-propan-2-yl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-propan-2-yl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine is CC(C)N(Cc1cccnc1)C(C)CN.
What is the InChIKey of 2-N-propan-2-yl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine?
The InChIKey is PMUMJQCDRRGBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10(2)15(11(3)7-13)9-12-5-4-6-14-8-12/h4-6,8,10-11H,7,9,13H2,1-3H3.
What are the key properties of 2-N-propan-2-yl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine?
2-N-propan-2-yl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine has a molecular weight of 207.32 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-propan-2-yl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 112709140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).