N-tert-butyl-N'-methyl-2-methylidene-N'-[(2-methylphenyl)methyl]propane-1,3-diamine

C17H28N2 — CID 103069590

IUPACN-tert-butyl-N'-methyl-2-methylidene-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
SMILESC=C(CNC(C)(C)C)CN(C)Cc1ccccc1C
InChIInChI=1S/C17H28N2/c1-14(11-18-17(3,4)5)12-19(6)13-16-10-8-7-9-15(16)2/h7-10,18H,1,11-13H2,2-6H3
InChIKeyCKOOMWSAUYGBOR-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.37
Rot. Bonds6

About N-tert-butyl-N'-methyl-2-methylidene-N'-[(2-methylphenyl)methyl]propane-1,3-diamine

N-tert-butyl-N'-methyl-2-methylidene-N'-[(2-methylphenyl)methyl]propane-1,3-diamine (PubChem CID 103069590) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is N-tert-butyl-N'-methyl-2-methylidene-N'-[(2-methylphenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-methyl-2-methylidene-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
PubChem CID103069590
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC NameN-tert-butyl-N'-methyl-2-methylidene-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
SMILESC=C(CNC(C)(C)C)CN(C)Cc1ccccc1C
InChIInChI=1S/C17H28N2/c1-14(11-18-17(3,4)5)12-19(6)13-16-10-8-7-9-15(16)2/h7-10,18H,1,11-13H2,2-6H3
InChIKeyCKOOMWSAUYGBOR-UHFFFAOYSA-N
XLogP3.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-N'-methyl-2-methylidene-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 103069350
2-(tert-butylamino)-N-ethyl-N-[(2-methylphenyl)methyl]acetamide
CID 112727493
N-[(2-bromophenyl)methyl]-N,N'-dimethyl-2-methylidenepropane-1,3-diamine
CID 103069628
2,2-dimethyl-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
CID 62267045
ethane;2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 142212202
3-(tert-butylamino)-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 60849544
N-ethyl-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 61411427
N,N',2,2-tetramethyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 62260003
2-[methyl-[(2-methylphenyl)methyl]amino]-N-propylacetamide
CID 47006716
1-N-tert-butyl-3-N-methyl-3-N-[(2-methylphenyl)methyl]butane-1,3-diamine
CID 55072438
2-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pentanal
CID 55052035
N,2-diethyl-N',2-dimethyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 62260863

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-methyl-2-methylidene-N'-[(2-methylphenyl)methyl]propane-1,3-diamine?
The IUPAC name of N-tert-butyl-N'-methyl-2-methylidene-N'-[(2-methylphenyl)methyl]propane-1,3-diamine (CID 103069590) is N-tert-butyl-N'-methyl-2-methylidene-N'-[(2-methylphenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-N'-methyl-2-methylidene-N'-[(2-methylphenyl)methyl]propane-1,3-diamine?
The canonical SMILES for N-tert-butyl-N'-methyl-2-methylidene-N'-[(2-methylphenyl)methyl]propane-1,3-diamine is C=C(CNC(C)(C)C)CN(C)Cc1ccccc1C.
What is the InChIKey of N-tert-butyl-N'-methyl-2-methylidene-N'-[(2-methylphenyl)methyl]propane-1,3-diamine?
The InChIKey is CKOOMWSAUYGBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14(11-18-17(3,4)5)12-19(6)13-16-10-8-7-9-15(16)2/h7-10,18H,1,11-13H2,2-6H3.
What are the key properties of N-tert-butyl-N'-methyl-2-methylidene-N'-[(2-methylphenyl)methyl]propane-1,3-diamine?
N-tert-butyl-N'-methyl-2-methylidene-N'-[(2-methylphenyl)methyl]propane-1,3-diamine has a molecular weight of 260.42 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-methyl-2-methylidene-N'-[(2-methylphenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 103069590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).