1-N-tert-butyl-3-N-methyl-3-N-[(2-methylphenyl)methyl]butane-1,3-diamine

C17H30N2 — CID 55072438

IUPAC1-N-tert-butyl-3-N-methyl-3-N-[(2-methylphenyl)methyl]butane-1,3-diamine
SMILESCc1ccccc1CN(C)C(C)CCNC(C)(C)C
InChIInChI=1S/C17H30N2/c1-14-9-7-8-10-16(14)13-19(6)15(2)11-12-18-17(3,4)5/h7-10,15,18H,11-13H2,1-6H3
InChIKeyUZVMWWBEDYKJMC-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.59
Rot. Bonds6

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

1-N-tert-butyl-3-N-methyl-3-N-[(2-methylphenyl)methyl]butane-1,3-diamine (PubChem CID 55072438) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-N-tert-butyl-3-N-methyl-3-N-[(2-methylphenyl)methyl]butane-1,3-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-3-N-methyl-3-N-[(2-methylphenyl)methyl]butane-1,3-diamine
PubChem CID55072438
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-N-tert-butyl-3-N-methyl-3-N-[(2-methylphenyl)methyl]butane-1,3-diamine
SMILESCc1ccccc1CN(C)C(C)CCNC(C)(C)C
InChIInChI=1S/C17H30N2/c1-14-9-7-8-10-16(14)13-19(6)15(2)11-12-18-17(3,4)5/h7-10,15,18H,11-13H2,1-6H3
InChIKeyUZVMWWBEDYKJMC-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine
CID 62462960
1-N-tert-butyl-4-N-[(2-methoxyphenyl)methyl]-4-N-methylpentane-1,4-diamine
CID 62435403
N-[[2-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-2-amine
CID 115463579
1-N-cyclopropyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine
CID 62463301
4-[methyl-[(2-methylphenyl)methyl]amino]pentanehydrazide
CID 63585520
4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-2,4-diamine
CID 64706789
1-N-tert-butyl-3-N-methyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 62421944
3-(tert-butylamino)-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 60849544
3-[methyl-[(2-methylphenyl)methyl]amino]butanenitrile
CID 61360593
N-[[2-[2-(tert-butylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine
CID 115463732
N'-tert-butyl-N-[1-(2-methylphenyl)propan-2-yl]ethane-1,2-diamine
CID 107445356
1-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 62436283

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-3-N-methyl-3-N-[(2-methylphenyl)methyl]butane-1,3-diamine?
The IUPAC name of 1-N-tert-butyl-3-N-methyl-3-N-[(2-methylphenyl)methyl]butane-1,3-diamine (CID 55072438) is 1-N-tert-butyl-3-N-methyl-3-N-[(2-methylphenyl)methyl]butane-1,3-diamine.
What is the SMILES notation for 1-N-tert-butyl-3-N-methyl-3-N-[(2-methylphenyl)methyl]butane-1,3-diamine?
The canonical SMILES for 1-N-tert-butyl-3-N-methyl-3-N-[(2-methylphenyl)methyl]butane-1,3-diamine is Cc1ccccc1CN(C)C(C)CCNC(C)(C)C.
What is the InChIKey of 1-N-tert-butyl-3-N-methyl-3-N-[(2-methylphenyl)methyl]butane-1,3-diamine?
The InChIKey is UZVMWWBEDYKJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-14-9-7-8-10-16(14)13-19(6)15(2)11-12-18-17(3,4)5/h7-10,15,18H,11-13H2,1-6H3.
What are the key properties of 1-N-tert-butyl-3-N-methyl-3-N-[(2-methylphenyl)methyl]butane-1,3-diamine?
1-N-tert-butyl-3-N-methyl-3-N-[(2-methylphenyl)methyl]butane-1,3-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-3-N-methyl-3-N-[(2-methylphenyl)methyl]butane-1,3-diamine is sourced from PubChem (CID 55072438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).