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

C16H35N3 — CID 105418002

IUPAC1-N-tert-butyl-3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methylbutane-1,3-diamine
SMILESCC(CCNC(C)(C)C)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C16H35N3/c1-14(9-12-17-15(2,3)4)19(7)13-16(18(5)6)10-8-11-16/h14,17H,8-13H2,1-7H3
InChIKeyNKKJSKUQJGXIAF-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.57
Rot. Bonds7

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

1-N-tert-butyl-3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methylbutane-1,3-diamine (PubChem CID 105418002) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 1-N-tert-butyl-3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methylbutane-1,3-diamine
PubChem CID105418002
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name1-N-tert-butyl-3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methylbutane-1,3-diamine
SMILESCC(CCNC(C)(C)C)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C16H35N3/c1-14(9-12-17-15(2,3)4)19(7)13-16(18(5)6)10-8-11-16/h14,17H,8-13H2,1-7H3
InChIKeyNKKJSKUQJGXIAF-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-tert-butyl-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N,3-dimethylbutane-1,2-diamine
CID 105417765
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]pentanehydrazide
CID 105418482
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanenitrile
CID 105416581
N,N-dimethyl-1-[[methyl(propan-2-yl)amino]methyl]cyclobutan-1-amine
CID 176568551
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanoic acid
CID 105416931
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-ethyl-2-N-methylpentane-1,2-diamine
CID 105418038
N-tert-butyl-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylbutane-1,4-diamine
CID 105417884
2-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpentanoic acid
CID 105416899
3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methyl-4-N-propylheptane-3,4-diamine
CID 105414347
N-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-methylbutan-2-amine
CID 62262894
1-N-tert-butyl-3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine
CID 62436071

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methylbutane-1,3-diamine?
The IUPAC name of 1-N-tert-butyl-3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methylbutane-1,3-diamine (CID 105418002) is 1-N-tert-butyl-3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methylbutane-1,3-diamine.
What is the SMILES notation for 1-N-tert-butyl-3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methylbutane-1,3-diamine?
The canonical SMILES for 1-N-tert-butyl-3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methylbutane-1,3-diamine is CC(CCNC(C)(C)C)N(C)CC1(N(C)C)CCC1.
What is the InChIKey of 1-N-tert-butyl-3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methylbutane-1,3-diamine?
The InChIKey is NKKJSKUQJGXIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-14(9-12-17-15(2,3)4)19(7)13-16(18(5)6)10-8-11-16/h14,17H,8-13H2,1-7H3.
What are the key properties of 1-N-tert-butyl-3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methylbutane-1,3-diamine?
1-N-tert-butyl-3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methylbutane-1,3-diamine has a molecular weight of 269.48 g/mol, XLogP of 2.57, 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-3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methylbutane-1,3-diamine is sourced from PubChem (CID 105418002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).