N-(2-methyl-4-pyridinyl)-N',N'-di(propan-2-yl)propane-1,3-diamine

C15H27N3 — CID 133492181

IUPACN-(2-methyl-4-pyridinyl)-N',N'-di(propan-2-yl)propane-1,3-diamine
SMILESCc1cc(NCCCN(C(C)C)C(C)C)ccn1
InChIInChI=1S/C15H27N3/c1-12(2)18(13(3)4)10-6-8-17-15-7-9-16-14(5)11-15/h7,9,11-13H,6,8,10H2,1-5H3,(H,16,17)
InChIKeyHTGHLVHHNDWOTO-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.31
Rot. Bonds7

About N-(2-methyl-4-pyridinyl)-N',N'-di(propan-2-yl)propane-1,3-diamine

N-(2-methyl-4-pyridinyl)-N',N'-di(propan-2-yl)propane-1,3-diamine (PubChem CID 133492181) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-(2-methyl-4-pyridinyl)-N',N'-di(propan-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN-(2-methyl-4-pyridinyl)-N',N'-di(propan-2-yl)propane-1,3-diamine
PubChem CID133492181
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-(2-methyl-4-pyridinyl)-N',N'-di(propan-2-yl)propane-1,3-diamine
SMILESCc1cc(NCCCN(C(C)C)C(C)C)ccn1
InChIInChI=1S/C15H27N3/c1-12(2)18(13(3)4)10-6-8-17-15-7-9-16-14(5)11-15/h7,9,11-13H,6,8,10H2,1-5H3,(H,16,17)
InChIKeyHTGHLVHHNDWOTO-UHFFFAOYSA-N
XLogP3.31
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 103756417
2-methyl-N-propylpyridin-4-amine
CID 79240818
4-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid
CID 43143006
4-[2-[di(propan-2-yl)amino]ethylamino]-N-ethylpyridine-2-carboxamide
CID 43517863
N'-cyclopentyl-N'-methyl-N-(2-methyl-4-pyridinyl)ethane-1,2-diamine
CID 113482625
N-[2-(3,5-difluorophenyl)ethyl]-2-methylpyridin-4-amine
CID 113482614
2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-4-amine
CID 103512470
N-(4-methoxy-2-pyridinyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 12857633
2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridin-4-amine
CID 106404416
N-[2-(2,5-difluorophenyl)ethyl]-2-methylpyridin-4-amine
CID 133492320
N-[(E)-but-2-enyl]-2-methylpyridin-4-amine
CID 131243959
azanide;dichloroplatinum;N-hydroxy-7-[(2-methyl-4-pyridinyl)amino]heptanamide
CID 58492755

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-pyridinyl)-N',N'-di(propan-2-yl)propane-1,3-diamine?
The IUPAC name of N-(2-methyl-4-pyridinyl)-N',N'-di(propan-2-yl)propane-1,3-diamine (CID 133492181) is N-(2-methyl-4-pyridinyl)-N',N'-di(propan-2-yl)propane-1,3-diamine.
What is the SMILES notation for N-(2-methyl-4-pyridinyl)-N',N'-di(propan-2-yl)propane-1,3-diamine?
The canonical SMILES for N-(2-methyl-4-pyridinyl)-N',N'-di(propan-2-yl)propane-1,3-diamine is Cc1cc(NCCCN(C(C)C)C(C)C)ccn1.
What is the InChIKey of N-(2-methyl-4-pyridinyl)-N',N'-di(propan-2-yl)propane-1,3-diamine?
The InChIKey is HTGHLVHHNDWOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-12(2)18(13(3)4)10-6-8-17-15-7-9-16-14(5)11-15/h7,9,11-13H,6,8,10H2,1-5H3,(H,16,17).
What are the key properties of N-(2-methyl-4-pyridinyl)-N',N'-di(propan-2-yl)propane-1,3-diamine?
N-(2-methyl-4-pyridinyl)-N',N'-di(propan-2-yl)propane-1,3-diamine has a molecular weight of 249.40 g/mol, XLogP of 3.31, 7 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',N'-di(propan-2-yl)propane-1,3-diamine is sourced from PubChem (CID 133492181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).