2-N-propan-2-yl-2-N-pyridin-4-ylpropane-1,2-diamine

C11H19N3 — CID 83830535

IUPAC2-N-propan-2-yl-2-N-pyridin-4-ylpropane-1,2-diamine
SMILESCC(C)N(c1ccncc1)C(C)CN
InChIInChI=1S/C11H19N3/c1-9(2)14(10(3)8-12)11-4-6-13-7-5-11/h4-7,9-10H,8,12H2,1-3H3
InChIKeyDNMOFHWZKLDGAC-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.64
Rot. Bonds4

About 2-N-propan-2-yl-2-N-pyridin-4-ylpropane-1,2-diamine

2-N-propan-2-yl-2-N-pyridin-4-ylpropane-1,2-diamine (PubChem CID 83830535) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-N-propan-2-yl-2-N-pyridin-4-ylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-propan-2-yl-2-N-pyridin-4-ylpropane-1,2-diamine
PubChem CID83830535
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-N-propan-2-yl-2-N-pyridin-4-ylpropane-1,2-diamine
SMILESCC(C)N(c1ccncc1)C(C)CN
InChIInChI=1S/C11H19N3/c1-9(2)14(10(3)8-12)11-4-6-13-7-5-11/h4-7,9-10H,8,12H2,1-3H3
InChIKeyDNMOFHWZKLDGAC-UHFFFAOYSA-N
XLogP1.64
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-propan-2-yl-2-N-pyridin-4-ylpropane-1,2-diamine?
The IUPAC name of 2-N-propan-2-yl-2-N-pyridin-4-ylpropane-1,2-diamine (CID 83830535) is 2-N-propan-2-yl-2-N-pyridin-4-ylpropane-1,2-diamine.
What is the SMILES notation for 2-N-propan-2-yl-2-N-pyridin-4-ylpropane-1,2-diamine?
The canonical SMILES for 2-N-propan-2-yl-2-N-pyridin-4-ylpropane-1,2-diamine is CC(C)N(c1ccncc1)C(C)CN.
What is the InChIKey of 2-N-propan-2-yl-2-N-pyridin-4-ylpropane-1,2-diamine?
The InChIKey is DNMOFHWZKLDGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-9(2)14(10(3)8-12)11-4-6-13-7-5-11/h4-7,9-10H,8,12H2,1-3H3.
What are the key properties of 2-N-propan-2-yl-2-N-pyridin-4-ylpropane-1,2-diamine?
2-N-propan-2-yl-2-N-pyridin-4-ylpropane-1,2-diamine has a molecular weight of 193.29 g/mol, XLogP of 1.64, 4 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-ylpropane-1,2-diamine is sourced from PubChem (CID 83830535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).