N-[(2-methyl-4-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine

C12H21N3 — CID 106752860

IUPACN-[(2-methyl-4-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCc1cc(CNCCNC(C)C)ccn1
InChIInChI=1S/C12H21N3/c1-10(2)14-7-6-13-9-12-4-5-15-11(3)8-12/h4-5,8,10,13-14H,6-7,9H2,1-3H3
InChIKeyKJJBIBFGCWVGRA-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.48
Rot. Bonds6

About N-[(2-methyl-4-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine

N-[(2-methyl-4-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine (PubChem CID 106752860) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(2-methyl-4-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(2-methyl-4-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine
PubChem CID106752860
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-[(2-methyl-4-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCc1cc(CNCCNC(C)C)ccn1
InChIInChI=1S/C12H21N3/c1-10(2)14-7-6-13-9-12-4-5-15-11(3)8-12/h4-5,8,10,13-14H,6-7,9H2,1-3H3
InChIKeyKJJBIBFGCWVGRA-UHFFFAOYSA-N
XLogP1.48
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
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-methyl-4-pyridinyl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 106752892
methyl 3-[(2-methyl-4-pyridinyl)methylamino]propanoate
CID 176820341
ethane;N-methyl-N'-[(2-methyl-4-pyridinyl)methyl]methanediamine
CID 171623926
2-[(2-methyl-4-pyridinyl)methylamino]propan-1-ol
CID 106752869
N-(furan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560326
1-(2-methyl-4-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine
CID 106752851
(2-methyl-4-pyridinyl)methylcarbamic acid
CID 89157251
N-[(4-ethoxyphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 113405276
4-[3-[(2-methyl-4-pyridinyl)methylamino]propyl]-1H-pyridin-2-one
CID 146274173
4-ethyl-2-methylpyridine;propan-2-ol
CID 145226128
4-(chloromethyl)-2-methylpyridine
CID 12675262
ethane;4-ethyl-2-methylpyridine
CID 91358383

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-4-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-[(2-methyl-4-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine (CID 106752860) is N-[(2-methyl-4-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-[(2-methyl-4-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-[(2-methyl-4-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine is Cc1cc(CNCCNC(C)C)ccn1.
What is the InChIKey of N-[(2-methyl-4-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is KJJBIBFGCWVGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10(2)14-7-6-13-9-12-4-5-15-11(3)8-12/h4-5,8,10,13-14H,6-7,9H2,1-3H3.
What are the key properties of N-[(2-methyl-4-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine?
N-[(2-methyl-4-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 207.32 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-4-pyridinyl)methyl]-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 106752860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).