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

C13H23N3 — CID 106752892

IUPACN-[(2-methyl-4-pyridinyl)methyl]-N'-propan-2-ylpropane-1,3-diamine
SMILESCc1cc(CNCCCNC(C)C)ccn1
InChIInChI=1S/C13H23N3/c1-11(2)15-7-4-6-14-10-13-5-8-16-12(3)9-13/h5,8-9,11,14-15H,4,6-7,10H2,1-3H3
InChIKeyYANOSUJDPBCVIM-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.87
Rot. Bonds7

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

N-[(2-methyl-4-pyridinyl)methyl]-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 106752892) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[(2-methyl-4-pyridinyl)methyl]-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(2-methyl-4-pyridinyl)methyl]-N'-propan-2-ylpropane-1,3-diamine
PubChem CID106752892
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[(2-methyl-4-pyridinyl)methyl]-N'-propan-2-ylpropane-1,3-diamine
SMILESCc1cc(CNCCCNC(C)C)ccn1
InChIInChI=1S/C13H23N3/c1-11(2)15-7-4-6-14-10-13-5-8-16-12(3)9-13/h5,8-9,11,14-15H,4,6-7,10H2,1-3H3
InChIKeyYANOSUJDPBCVIM-UHFFFAOYSA-N
XLogP1.87
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.87
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-ylethane-1,2-diamine
CID 106752860
methyl 3-[(2-methyl-4-pyridinyl)methylamino]propanoate
CID 176820341
N-benzyl-N'-propan-2-ylpropane-1,3-diamine
CID 61150632
ethane;N-methyl-N'-[(2-methyl-4-pyridinyl)methyl]methanediamine
CID 171623926
2-[(2-methyl-4-pyridinyl)methylamino]propan-1-ol
CID 106752869
4-[3-[(2-methyl-4-pyridinyl)methylamino]propyl]-1H-pyridin-2-one
CID 146274173
N-[(3-bromo-5-methylphenyl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 104851468
1-methyl-4-[[3-(propan-2-ylamino)propylamino]methyl]pyridin-2-one
CID 114039693
1-(2-methyl-4-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine
CID 106752851
(2-methyl-4-pyridinyl)methylcarbamic acid
CID 89157251
4-ethyl-2-methylpyridine;propan-2-ol
CID 145226128
N-(furan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560326

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-4-pyridinyl)methyl]-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-[(2-methyl-4-pyridinyl)methyl]-N'-propan-2-ylpropane-1,3-diamine (CID 106752892) is N-[(2-methyl-4-pyridinyl)methyl]-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-[(2-methyl-4-pyridinyl)methyl]-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-[(2-methyl-4-pyridinyl)methyl]-N'-propan-2-ylpropane-1,3-diamine is Cc1cc(CNCCCNC(C)C)ccn1.
What is the InChIKey of N-[(2-methyl-4-pyridinyl)methyl]-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is YANOSUJDPBCVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-11(2)15-7-4-6-14-10-13-5-8-16-12(3)9-13/h5,8-9,11,14-15H,4,6-7,10H2,1-3H3.
What are the key properties of N-[(2-methyl-4-pyridinyl)methyl]-N'-propan-2-ylpropane-1,3-diamine?
N-[(2-methyl-4-pyridinyl)methyl]-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 221.35 g/mol, XLogP of 1.87, 7 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-ylpropane-1,3-diamine is sourced from PubChem (CID 106752892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).