1-N-tert-butyl-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N,3-dimethylbutane-1,2-diamine

C17H37N3 — CID 105417765

IUPAC1-N-tert-butyl-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N,3-dimethylbutane-1,2-diamine
SMILESCC(C)C(CNC(C)(C)C)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C17H37N3/c1-14(2)15(12-18-16(3,4)5)20(8)13-17(19(6)7)10-9-11-17/h14-15,18H,9-13H2,1-8H3
InChIKeyQQKBGXTVNLAWPX-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.82
Rot. Bonds7

About 1-N-tert-butyl-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N,3-dimethylbutane-1,2-diamine

1-N-tert-butyl-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N,3-dimethylbutane-1,2-diamine (PubChem CID 105417765) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N,3-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N,3-dimethylbutane-1,2-diamine
PubChem CID105417765
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC Name1-N-tert-butyl-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N,3-dimethylbutane-1,2-diamine
SMILESCC(C)C(CNC(C)(C)C)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C17H37N3/c1-14(2)15(12-18-16(3,4)5)20(8)13-17(19(6)7)10-9-11-17/h14-15,18H,9-13H2,1-8H3
InChIKeyQQKBGXTVNLAWPX-UHFFFAOYSA-N
XLogP2.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-tert-butyl-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N,3-dimethylbutane-1,2-diamine with MolForge

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Related Compounds

1-N-tert-butyl-3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methylbutane-1,3-diamine
CID 105418002
N,N-dimethyl-1-[[methyl(propan-2-yl)amino]methyl]cyclobutan-1-amine
CID 176568551
3-amino-2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-4,4-dimethylpentan-1-ol
CID 105414476
1-N-tert-butyl-2-N-(cyclopentylmethyl)-2-N,3-dimethylbutane-1,2-diamine
CID 63657347
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanenitrile
CID 105416581
1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3,3-dimethylbutan-2-ol
CID 105416425
1-N-tert-butyl-2-N,3-dimethyl-2-N-(2-methylsulfanylethyl)butane-1,2-diamine
CID 112665623
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine
CID 105418216
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanoic acid
CID 105416931
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 103227382
3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N,4-N-dimethylheptane-3,4-diamine
CID 105414348
1-N-tert-butyl-2-N-cyclohexyl-2-N,3-dimethylbutane-1,2-diamine
CID 62423532

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N,3-dimethylbutane-1,2-diamine?
The IUPAC name of 1-N-tert-butyl-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N,3-dimethylbutane-1,2-diamine (CID 105417765) is 1-N-tert-butyl-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N,3-dimethylbutane-1,2-diamine.
What is the SMILES notation for 1-N-tert-butyl-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N,3-dimethylbutane-1,2-diamine?
The canonical SMILES for 1-N-tert-butyl-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N,3-dimethylbutane-1,2-diamine is CC(C)C(CNC(C)(C)C)N(C)CC1(N(C)C)CCC1.
What is the InChIKey of 1-N-tert-butyl-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N,3-dimethylbutane-1,2-diamine?
The InChIKey is QQKBGXTVNLAWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-14(2)15(12-18-16(3,4)5)20(8)13-17(19(6)7)10-9-11-17/h14-15,18H,9-13H2,1-8H3.
What are the key properties of 1-N-tert-butyl-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N,3-dimethylbutane-1,2-diamine?
1-N-tert-butyl-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N,3-dimethylbutane-1,2-diamine has a molecular weight of 283.50 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N,3-dimethylbutane-1,2-diamine is sourced from PubChem (CID 105417765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).