2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-ethyl-2-N-methylpentane-1,2-diamine

C15H33N3 — CID 105418038

IUPAC2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-ethyl-2-N-methylpentane-1,2-diamine
SMILESCCCC(CNCC)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C15H33N3/c1-6-9-14(12-16-7-2)18(5)13-15(17(3)4)10-8-11-15/h14,16H,6-13H2,1-5H3
InChIKeyWATDCQKJYPGMRR-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.18
Rot. Bonds9

About 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-ethyl-2-N-methylpentane-1,2-diamine

2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-ethyl-2-N-methylpentane-1,2-diamine (PubChem CID 105418038) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-ethyl-2-N-methylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-ethyl-2-N-methylpentane-1,2-diamine
PubChem CID105418038
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-ethyl-2-N-methylpentane-1,2-diamine
SMILESCCCC(CNCC)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C15H33N3/c1-6-9-14(12-16-7-2)18(5)13-15(17(3)4)10-8-11-15/h14,16H,6-13H2,1-5H3
InChIKeyWATDCQKJYPGMRR-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-((Dimethylamino)methyl)cyclobutan-1-amine
CID 81176754
1-(aminomethyl)-N,N-dimethylcyclobutan-1-amine
CID 10606763
N,N-dimethyl-1-((methylamino)methyl)cyclobutan-1-amine
CID 75481734
1-(aminomethyl)-N-methylcyclobutan-1-amine
CID 79002420
5-Methyl-5,8-diazaspiro[3.5]nonane
CID 84020677
N-Isopropyl-N',N'-di-n-pentylethylenediamine
CID 470019
9-Methyl-5,9-diazaspiro[3.6]decane
CID 177801851
3-N-(2-aminoethyl)-2-N,2-N,2-trimethylbutane-2,3-diamine
CID 18320904
Tetraethyldiethylenetriamine
CID 18364441
1-[(1,1-difluoropropan-2-ylamino)methyl]-N,N-dimethylcyclobutan-1-amine
CID 102870170
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,1,1-trifluoro-2-N-methylbutane-2,3-diamine
CID 105413478
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,1,1-trifluoro-2-N-methylpentane-2,3-diamine
CID 105413675

Frequently Asked Questions

What is the IUPAC name of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-ethyl-2-N-methylpentane-1,2-diamine?
The IUPAC name of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-ethyl-2-N-methylpentane-1,2-diamine (CID 105418038) is 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-ethyl-2-N-methylpentane-1,2-diamine.
What is the SMILES notation for 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-ethyl-2-N-methylpentane-1,2-diamine?
The canonical SMILES for 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-ethyl-2-N-methylpentane-1,2-diamine is CCCC(CNCC)N(C)CC1(N(C)C)CCC1.
What is the InChIKey of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-ethyl-2-N-methylpentane-1,2-diamine?
The InChIKey is WATDCQKJYPGMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-6-9-14(12-16-7-2)18(5)13-15(17(3)4)10-8-11-15/h14,16H,6-13H2,1-5H3.
What are the key properties of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-ethyl-2-N-methylpentane-1,2-diamine?
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-ethyl-2-N-methylpentane-1,2-diamine has a molecular weight of 255.45 g/mol, XLogP of 2.18, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-ethyl-2-N-methylpentane-1,2-diamine is sourced from PubChem (CID 105418038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).