2-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine

C12H21N3 — CID 112709139

IUPAC2-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine
SMILESCC(C)N(Cc1ccncc1)C(C)CN
InChIInChI=1S/C12H21N3/c1-10(2)15(11(3)8-13)9-12-4-6-14-7-5-12/h4-7,10-11H,8-9,13H2,1-3H3
InChIKeyUAJLYIYWVVHZEB-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.64
Rot. Bonds5

About 2-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine

2-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine (PubChem CID 112709139) 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-4-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine
PubChem CID112709139
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine
SMILESCC(C)N(Cc1ccncc1)C(C)CN
InChIInChI=1S/C12H21N3/c1-10(2)15(11(3)8-13)9-12-4-6-14-7-5-12/h4-7,10-11H,8-9,13H2,1-3H3
InChIKeyUAJLYIYWVVHZEB-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-3-ylmethyl)propane-1,2-diamine
CID 112709140
2-N-propan-2-yl-2-N-pyridin-4-ylpropane-1,2-diamine
CID 83830535
2-N,3-dimethyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 43563996
N-[[4-(aminomethyl)phenyl]methyl]-2-ethyl-N-(pyridin-4-ylmethyl)butan-1-amine
CID 23992654
1-cyclopropyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 61450542
(2S)-2-methyl-3-pyridin-4-ylpropan-1-amine
CID 42079600
1-cyclopentyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 55034763
propan-1-amine;pyridin-4-ylmethanamine
CID 157420775
2-ethoxy-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 63069655
N'-ethyl-2-propyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 65233301
2-N-ethyl-3,3,3-trifluoro-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 54947943
2-[amino(pyridin-4-ylmethyl)amino]propanamide
CID 68613777

Frequently Asked Questions

What is the IUPAC name of 2-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine?
The IUPAC name of 2-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine (CID 112709139) is 2-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine is CC(C)N(Cc1ccncc1)C(C)CN.
What is the InChIKey of 2-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine?
The InChIKey is UAJLYIYWVVHZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10(2)15(11(3)8-13)9-12-4-6-14-7-5-12/h4-7,10-11H,8-9,13H2,1-3H3.
What are the key properties of 2-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine?
2-N-propan-2-yl-2-N-(pyridin-4-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-4-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 112709139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).