N'-(2-methyl-4-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine

C12H21N3 — CID 112710088

IUPACN'-(2-methyl-4-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCc1cc(N(CCCN)C(C)C)ccn1
InChIInChI=1S/C12H21N3/c1-10(2)15(8-4-6-13)12-5-7-14-11(3)9-12/h5,7,9-10H,4,6,8,13H2,1-3H3
InChIKeyZTPJTAZRTCFKKC-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.95
Rot. Bonds5

About N'-(2-methyl-4-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine

N'-(2-methyl-4-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 112710088) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N'-(2-methyl-4-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-methyl-4-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine
PubChem CID112710088
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN'-(2-methyl-4-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCc1cc(N(CCCN)C(C)C)ccn1
InChIInChI=1S/C12H21N3/c1-10(2)15(8-4-6-13)12-5-7-14-11(3)9-12/h5,7,9-10H,4,6,8,13H2,1-3H3
InChIKeyZTPJTAZRTCFKKC-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methyl-4-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-(2-methyl-4-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine (CID 112710088) is N'-(2-methyl-4-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-(2-methyl-4-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-(2-methyl-4-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine is Cc1cc(N(CCCN)C(C)C)ccn1.
What is the InChIKey of N'-(2-methyl-4-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is ZTPJTAZRTCFKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10(2)15(8-4-6-13)12-5-7-14-11(3)9-12/h5,7,9-10H,4,6,8,13H2,1-3H3.
What are the key properties of N'-(2-methyl-4-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine?
N'-(2-methyl-4-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 207.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methyl-4-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 112710088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).