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

C18H39N3 — CID 105417150

IUPACN-tert-butyl-N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-N',2-dimethylpropane-1,3-diamine
SMILESCCC(C)(CNC(C)(C)C)CN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C18H39N3/c1-9-17(5,13-19-16(2,3)4)14-21(8)15-18(20(6)7)11-10-12-18/h19H,9-15H2,1-8H3
InChIKeyACARSEOZTLMQJH-UHFFFAOYSA-N
MW297.53 g/mol
LogP3.21
Rot. Bonds8

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

N-tert-butyl-N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-N',2-dimethylpropane-1,3-diamine (PubChem CID 105417150) has the molecular formula C18H39N3 and a molecular weight of 297.53 g/mol. Its IUPAC name is N-tert-butyl-N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-N',2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-N',2-dimethylpropane-1,3-diamine
PubChem CID105417150
Molecular FormulaC18H39N3
Molecular Weight297.53 g/mol
Exact Mass297.31
IUPAC NameN-tert-butyl-N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-N',2-dimethylpropane-1,3-diamine
SMILESCCC(C)(CNC(C)(C)C)CN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C18H39N3/c1-9-17(5,13-19-16(2,3)4)14-21(8)15-18(20(6)7)11-10-12-18/h19H,9-15H2,1-8H3
InChIKeyACARSEOZTLMQJH-UHFFFAOYSA-N
XLogP3.21
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.53
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-N',2-dimethylpropane-1,3-diamine?
The IUPAC name of N-tert-butyl-N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-N',2-dimethylpropane-1,3-diamine (CID 105417150) is N-tert-butyl-N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-N',2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-N',2-dimethylpropane-1,3-diamine?
The canonical SMILES for N-tert-butyl-N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-N',2-dimethylpropane-1,3-diamine is CCC(C)(CNC(C)(C)C)CN(C)CC1(N(C)C)CCC1.
What is the InChIKey of N-tert-butyl-N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-N',2-dimethylpropane-1,3-diamine?
The InChIKey is ACARSEOZTLMQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N3/c1-9-17(5,13-19-16(2,3)4)14-21(8)15-18(20(6)7)11-10-12-18/h19H,9-15H2,1-8H3.
What are the key properties of N-tert-butyl-N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-N',2-dimethylpropane-1,3-diamine?
N-tert-butyl-N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-N',2-dimethylpropane-1,3-diamine has a molecular weight of 297.53 g/mol, XLogP of 3.21, 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]-2-ethyl-N',2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 105417150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).