1-N-methyl-1-N-(2-propan-2-yl-4-pyridinyl)propane-1,2-diamine

C12H21N3 — CID 112710084

IUPAC1-N-methyl-1-N-(2-propan-2-yl-4-pyridinyl)propane-1,2-diamine
SMILESCC(N)CN(C)c1ccnc(C(C)C)c1
InChIInChI=1S/C12H21N3/c1-9(2)12-7-11(5-6-14-12)15(4)8-10(3)13/h5-7,9-10H,8,13H2,1-4H3
InChIKeyGORHDKLJRSDIKD-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.99
Rot. Bonds4

About 1-N-methyl-1-N-(2-propan-2-yl-4-pyridinyl)propane-1,2-diamine

1-N-methyl-1-N-(2-propan-2-yl-4-pyridinyl)propane-1,2-diamine (PubChem CID 112710084) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-N-methyl-1-N-(2-propan-2-yl-4-pyridinyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(2-propan-2-yl-4-pyridinyl)propane-1,2-diamine
PubChem CID112710084
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-N-methyl-1-N-(2-propan-2-yl-4-pyridinyl)propane-1,2-diamine
SMILESCC(N)CN(C)c1ccnc(C(C)C)c1
InChIInChI=1S/C12H21N3/c1-9(2)12-7-11(5-6-14-12)15(4)8-10(3)13/h5-7,9-10H,8,13H2,1-4H3
InChIKeyGORHDKLJRSDIKD-UHFFFAOYSA-N
XLogP1.99
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(2-propan-2-yl-4-pyridinyl)propane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-(2-propan-2-yl-4-pyridinyl)propane-1,2-diamine (CID 112710084) is 1-N-methyl-1-N-(2-propan-2-yl-4-pyridinyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(2-propan-2-yl-4-pyridinyl)propane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-(2-propan-2-yl-4-pyridinyl)propane-1,2-diamine is CC(N)CN(C)c1ccnc(C(C)C)c1.
What is the InChIKey of 1-N-methyl-1-N-(2-propan-2-yl-4-pyridinyl)propane-1,2-diamine?
The InChIKey is GORHDKLJRSDIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(2)12-7-11(5-6-14-12)15(4)8-10(3)13/h5-7,9-10H,8,13H2,1-4H3.
What are the key properties of 1-N-methyl-1-N-(2-propan-2-yl-4-pyridinyl)propane-1,2-diamine?
1-N-methyl-1-N-(2-propan-2-yl-4-pyridinyl)propane-1,2-diamine has a molecular weight of 207.32 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(2-propan-2-yl-4-pyridinyl)propane-1,2-diamine is sourced from PubChem (CID 112710084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).