N-methyl-2-propan-2-yl-1-pyridin-2-ylpropane-1,3-diamine

C12H21N3 — CID 116960292

IUPACN-methyl-2-propan-2-yl-1-pyridin-2-ylpropane-1,3-diamine
SMILESCNC(c1ccccn1)C(CN)C(C)C
InChIInChI=1S/C12H21N3/c1-9(2)10(8-13)12(14-3)11-6-4-5-7-15-11/h4-7,9-10,12,14H,8,13H2,1-3H3
InChIKeyJJTKVTTZBLZZQA-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.57
Rot. Bonds5

About N-methyl-2-propan-2-yl-1-pyridin-2-ylpropane-1,3-diamine

N-methyl-2-propan-2-yl-1-pyridin-2-ylpropane-1,3-diamine (PubChem CID 116960292) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-methyl-2-propan-2-yl-1-pyridin-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-2-propan-2-yl-1-pyridin-2-ylpropane-1,3-diamine
PubChem CID116960292
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-methyl-2-propan-2-yl-1-pyridin-2-ylpropane-1,3-diamine
SMILESCNC(c1ccccn1)C(CN)C(C)C
InChIInChI=1S/C12H21N3/c1-9(2)10(8-13)12(14-3)11-6-4-5-7-15-11/h4-7,9-10,12,14H,8,13H2,1-3H3
InChIKeyJJTKVTTZBLZZQA-UHFFFAOYSA-N
XLogP1.57
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-dimethyl-2-propan-2-yl-1-pyridin-2-ylpropane-1,3-diamine
CID 116960365
(2R)-3-methyl-2-pyridin-2-ylbutan-1-amine
CID 96736561
2-pyridin-2-ylpropan-1-amine
CID 21481533
N-methyl-1-phenyl-2-pyridin-2-ylpropan-1-amine
CID 66447604
N-methyl-1-naphthalen-1-yl-2-propan-2-ylpropane-1,3-diamine
CID 116960307
N-methylmethanamine;1-pyridin-2-ylethanamine
CID 143812006
3-pyridin-2-ylbutane-1,2-diamine
CID 67591241
2-propan-2-yl-N'-[(1R)-1-pyridin-2-ylethyl]propane-1,3-diamine
CID 107442532
(2S)-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine
CID 28648178
2-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118
(1R)-2-methyl-1-pyridin-2-ylpropan-1-amine;dihydrochloride
CID 86767543
3-methyl-2-(1-pyridin-2-ylethylamino)butan-1-ol
CID 79253644

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propan-2-yl-1-pyridin-2-ylpropane-1,3-diamine?
The IUPAC name of N-methyl-2-propan-2-yl-1-pyridin-2-ylpropane-1,3-diamine (CID 116960292) is N-methyl-2-propan-2-yl-1-pyridin-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-methyl-2-propan-2-yl-1-pyridin-2-ylpropane-1,3-diamine?
The canonical SMILES for N-methyl-2-propan-2-yl-1-pyridin-2-ylpropane-1,3-diamine is CNC(c1ccccn1)C(CN)C(C)C.
What is the InChIKey of N-methyl-2-propan-2-yl-1-pyridin-2-ylpropane-1,3-diamine?
The InChIKey is JJTKVTTZBLZZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(2)10(8-13)12(14-3)11-6-4-5-7-15-11/h4-7,9-10,12,14H,8,13H2,1-3H3.
What are the key properties of N-methyl-2-propan-2-yl-1-pyridin-2-ylpropane-1,3-diamine?
N-methyl-2-propan-2-yl-1-pyridin-2-ylpropane-1,3-diamine has a molecular weight of 207.32 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propan-2-yl-1-pyridin-2-ylpropane-1,3-diamine is sourced from PubChem (CID 116960292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).