1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methyl-4-N-propylpentane-1,4-diamine

C16H35N3 — CID 105414513

IUPAC1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methyl-4-N-propylpentane-1,4-diamine
SMILESCCCNC(C)CCCN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C16H35N3/c1-6-12-17-15(2)9-7-13-19(5)14-16(18(3)4)10-8-11-16/h15,17H,6-14H2,1-5H3
InChIKeyWGYLUMOZADWBRP-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.57
Rot. Bonds10

About 1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methyl-4-N-propylpentane-1,4-diamine

1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methyl-4-N-propylpentane-1,4-diamine (PubChem CID 105414513) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methyl-4-N-propylpentane-1,4-diamine.

Molecular Properties

Compound Name1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methyl-4-N-propylpentane-1,4-diamine
PubChem CID105414513
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methyl-4-N-propylpentane-1,4-diamine
SMILESCCCNC(C)CCCN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C16H35N3/c1-6-12-17-15(2)9-7-13-19(5)14-16(18(3)4)10-8-11-16/h15,17H,6-14H2,1-5H3
InChIKeyWGYLUMOZADWBRP-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
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

Analyze 1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methyl-4-N-propylpentane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-1-((methylamino)methyl)cyclobutan-1-amine
CID 75481734
5-Methyl-5,8-diazaspiro[3.5]nonane
CID 84020677
N-Isopropyl-N',N'-di-n-pentylethylenediamine
CID 470019
1,2,5,5,7,8,9,12,12,14-Decamethyl-1,4,8,11-tetrazacyclotetradecane
CID 91083918
1-[(1,1-difluoropropan-2-ylamino)methyl]-N,N-dimethylcyclobutan-1-amine
CID 102870170
1-[(3-fluoropropylamino)methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416506
1-[(2-fluoroethylamino)methyl]-N,N-dimethylcyclobutan-1-amine
CID 105417009
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 105418084
N,N'-bis[2-(dimethylamino)butyl]pentane-1,5-diamine
CID 17927704
3-[[2-(dimethylamino)ethylamino]methyl]-1-N,1-N,3-N,3-N,5-N,5-N-hexamethylpentane-1,3,5-triamine
CID 18541605
3-N-(2-aminoethyl)-2-N,2-N,2-trimethylbutane-2,3-diamine;N,N-dimethylcyclohexanamine
CID 20313442
1-N-[1-[pentyl-[1-(pentylamino)propan-2-yl]amino]propan-2-yl]propane-1,2-diamine
CID 20381109

Frequently Asked Questions

What is the IUPAC name of 1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methyl-4-N-propylpentane-1,4-diamine?
The IUPAC name of 1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methyl-4-N-propylpentane-1,4-diamine (CID 105414513) is 1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methyl-4-N-propylpentane-1,4-diamine.
What is the SMILES notation for 1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methyl-4-N-propylpentane-1,4-diamine?
The canonical SMILES for 1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methyl-4-N-propylpentane-1,4-diamine is CCCNC(C)CCCN(C)CC1(N(C)C)CCC1.
What is the InChIKey of 1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methyl-4-N-propylpentane-1,4-diamine?
The InChIKey is WGYLUMOZADWBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-6-12-17-15(2)9-7-13-19(5)14-16(18(3)4)10-8-11-16/h15,17H,6-14H2,1-5H3.
What are the key properties of 1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methyl-4-N-propylpentane-1,4-diamine?
1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methyl-4-N-propylpentane-1,4-diamine has a molecular weight of 269.48 g/mol, XLogP of 2.57, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methyl-4-N-propylpentane-1,4-diamine is sourced from PubChem (CID 105414513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).