N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methyl-N-pentan-3-ylethane-1,2-diamine

C15H33N3 — CID 105418094

IUPACN'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methyl-N-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)NCCN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C15H33N3/c1-6-14(7-2)16-11-12-18(5)13-15(17(3)4)9-8-10-15/h14,16H,6-13H2,1-5H3
InChIKeyYZZZGVLSYWDQEU-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.18
Rot. Bonds9

About N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methyl-N-pentan-3-ylethane-1,2-diamine

N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methyl-N-pentan-3-ylethane-1,2-diamine (PubChem CID 105418094) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methyl-N-pentan-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methyl-N-pentan-3-ylethane-1,2-diamine
PubChem CID105418094
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC NameN'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methyl-N-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)NCCN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C15H33N3/c1-6-14(7-2)16-11-12-18(5)13-15(17(3)4)9-8-10-15/h14,16H,6-13H2,1-5H3
InChIKeyYZZZGVLSYWDQEU-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

N-(1-cyclopropylethyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylethane-1,2-diamine
CID 105418081
N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-N'-methylbutane-1,4-diamine
CID 105421320
1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methyl-4-N-propylpentane-1,4-diamine
CID 105414513
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]butane-1-thiol
CID 105418791
1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N,3-N-dimethylbutane-1,3-diamine
CID 105414306
N-tert-butyl-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylbutane-1,4-diamine
CID 105417884
1-[[3-bromopropyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416269
1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methylpentane-1,4-diamine
CID 105414329
1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbutan-2-ol
CID 105416413
3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methyl-4-N-propylheptane-3,4-diamine
CID 105414347
N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methyl-2-(2-methylpropyl)butane-1,4-diamine
CID 105421315
1-[[[1-(ethylaminomethyl)cyclopentyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105417297

Frequently Asked Questions

What is the IUPAC name of N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methyl-N-pentan-3-ylethane-1,2-diamine?
The IUPAC name of N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methyl-N-pentan-3-ylethane-1,2-diamine (CID 105418094) is N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methyl-N-pentan-3-ylethane-1,2-diamine.
What is the SMILES notation for N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methyl-N-pentan-3-ylethane-1,2-diamine?
The canonical SMILES for N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methyl-N-pentan-3-ylethane-1,2-diamine is CCC(CC)NCCN(C)CC1(N(C)C)CCC1.
What is the InChIKey of N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methyl-N-pentan-3-ylethane-1,2-diamine?
The InChIKey is YZZZGVLSYWDQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-6-14(7-2)16-11-12-18(5)13-15(17(3)4)9-8-10-15/h14,16H,6-13H2,1-5H3.
What are the key properties of N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methyl-N-pentan-3-ylethane-1,2-diamine?
N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methyl-N-pentan-3-ylethane-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 N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methyl-N-pentan-3-ylethane-1,2-diamine is sourced from PubChem (CID 105418094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).