N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-N'-methylbutane-1,4-diamine

C14H31N3 — CID 105421320

IUPACN'-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-N'-methylbutane-1,4-diamine
SMILESCCC(CN)CCN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C14H31N3/c1-5-13(11-15)7-10-17(4)12-14(16(2)3)8-6-9-14/h13H,5-12,15H2,1-4H3
InChIKeyGYABJGVRIVZYSJ-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.78
Rot. Bonds8

About N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-N'-methylbutane-1,4-diamine

N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-N'-methylbutane-1,4-diamine (PubChem CID 105421320) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-N'-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-N'-methylbutane-1,4-diamine
PubChem CID105421320
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC NameN'-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-N'-methylbutane-1,4-diamine
SMILESCCC(CN)CCN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C14H31N3/c1-5-13(11-15)7-10-17(4)12-14(16(2)3)8-6-9-14/h13H,5-12,15H2,1-4H3
InChIKeyGYABJGVRIVZYSJ-UHFFFAOYSA-N
XLogP1.78
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methyl-2-(2-methylpropyl)butane-1,4-diamine
CID 105421315
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]butane-1-thiol
CID 105418791
N'-[[1-(dimethylamino)cyclobutyl]methyl]-N',2-dimethylpropane-1,3-diamine
CID 105413759
1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N,3-N-dimethylbutane-1,3-diamine
CID 105414306
1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methylpentane-1,4-diamine
CID 105414329
N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methyl-N-pentan-3-ylethane-1,2-diamine
CID 105418094
1-cyclopropyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylethane-1,2-diamine
CID 105413933
1-(4-chlorophenyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylpropane-1,3-diamine
CID 105417210
1-[[3-bromopropyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416269
1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methyl-4-N-propylpentane-1,4-diamine
CID 105414513
2-ethyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine
CID 112660772
2-ethyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]butane-1,4-diamine
CID 81079802

Frequently Asked Questions

What is the IUPAC name of N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-N'-methylbutane-1,4-diamine?
The IUPAC name of N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-N'-methylbutane-1,4-diamine (CID 105421320) is N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-N'-methylbutane-1,4-diamine.
What is the SMILES notation for N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-N'-methylbutane-1,4-diamine?
The canonical SMILES for N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-N'-methylbutane-1,4-diamine is CCC(CN)CCN(C)CC1(N(C)C)CCC1.
What is the InChIKey of N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-N'-methylbutane-1,4-diamine?
The InChIKey is GYABJGVRIVZYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-5-13(11-15)7-10-17(4)12-14(16(2)3)8-6-9-14/h13H,5-12,15H2,1-4H3.
What are the key properties of N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-N'-methylbutane-1,4-diamine?
N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-N'-methylbutane-1,4-diamine has a molecular weight of 241.42 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-N'-methylbutane-1,4-diamine is sourced from PubChem (CID 105421320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).