N-tert-butyl-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylbutane-1,4-diamine

C16H35N3 — CID 105417884

IUPACN-tert-butyl-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylbutane-1,4-diamine
SMILESCN(CCCCNC(C)(C)C)CC1(N(C)C)CCC1
InChIInChI=1S/C16H35N3/c1-15(2,3)17-12-7-8-13-19(6)14-16(18(4)5)10-9-11-16/h17H,7-14H2,1-6H3
InChIKeyWUFBSZYNICOAQU-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.57
Rot. Bonds8

About N-tert-butyl-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylbutane-1,4-diamine

N-tert-butyl-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylbutane-1,4-diamine (PubChem CID 105417884) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is N-tert-butyl-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylbutane-1,4-diamine
PubChem CID105417884
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC NameN-tert-butyl-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylbutane-1,4-diamine
SMILESCN(CCCCNC(C)(C)C)CC1(N(C)C)CCC1
InChIInChI=1S/C16H35N3/c1-15(2,3)17-12-7-8-13-19(6)14-16(18(4)5)10-9-11-16/h17H,7-14H2,1-6H3
InChIKeyWUFBSZYNICOAQU-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylbutane-1,4-diamine?
The IUPAC name of N-tert-butyl-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylbutane-1,4-diamine (CID 105417884) is N-tert-butyl-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylbutane-1,4-diamine.
What is the SMILES notation for N-tert-butyl-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylbutane-1,4-diamine?
The canonical SMILES for N-tert-butyl-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylbutane-1,4-diamine is CN(CCCCNC(C)(C)C)CC1(N(C)C)CCC1.
What is the InChIKey of N-tert-butyl-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylbutane-1,4-diamine?
The InChIKey is WUFBSZYNICOAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-15(2,3)17-12-7-8-13-19(6)14-16(18(4)5)10-9-11-16/h17H,7-14H2,1-6H3.
What are the key properties of N-tert-butyl-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylbutane-1,4-diamine?
N-tert-butyl-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylbutane-1,4-diamine has a molecular weight of 269.48 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylbutane-1,4-diamine is sourced from PubChem (CID 105417884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).