N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-propan-2-ylpropane-1,3-diamine

C13H29N3 — CID 107442883

IUPACN'-[[1-(dimethylamino)cyclobutyl]methyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CNCC1(N(C)C)CCC1
InChIInChI=1S/C13H29N3/c1-11(2)12(8-14)9-15-10-13(16(3)4)6-5-7-13/h11-12,15H,5-10,14H2,1-4H3
InChIKeyVFIIDBUGFMHPHU-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.29
Rot. Bonds7

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

N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-propan-2-ylpropane-1,3-diamine (PubChem CID 107442883) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[[1-(dimethylamino)cyclobutyl]methyl]-2-propan-2-ylpropane-1,3-diamine
PubChem CID107442883
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN'-[[1-(dimethylamino)cyclobutyl]methyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CNCC1(N(C)C)CCC1
InChIInChI=1S/C13H29N3/c1-11(2)12(8-14)9-15-10-13(16(3)4)6-5-7-13/h11-12,15H,5-10,14H2,1-4H3
InChIKeyVFIIDBUGFMHPHU-UHFFFAOYSA-N
XLogP1.29
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-propan-2-ylpropane-1,3-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

1-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]cycloheptan-1-ol
CID 107442354
N'-[(1-methylsulfanylcyclohexyl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 114116050
2-amino-3-[[1-(dimethylamino)cyclobutyl]methylamino]propanamide
CID 103268958
(2S)-3-[[1-(dimethylamino)cyclopentyl]methylamino]propane-1,2-diol
CID 83120398
methyl 2-bromo-3-[[1-(dimethylamino)cyclopentyl]methylamino]propanoate
CID 103262330
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3-methylbutane-1-thiol
CID 105418772
N'-[2-amino-2-(1-methylcyclononyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 134220096
N,N-dimethyl-4-[(2-methylpropylamino)methyl]oxan-4-amine
CID 115876394
N'-(1-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine
CID 65233135
1-[[[2-(bromomethyl)-3-methylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416277
N'-[[1-(dimethylamino)cyclobutyl]methyl]-N',2-dimethylpropane-1,3-diamine
CID 105413759
1-[[1-(dimethylamino)cyclobutyl]methyl]-3-(2-methylpropyl)thiourea
CID 105413208

Frequently Asked Questions

What is the IUPAC name of N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-propan-2-ylpropane-1,3-diamine (CID 107442883) is N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-propan-2-ylpropane-1,3-diamine is CC(C)C(CN)CNCC1(N(C)C)CCC1.
What is the InChIKey of N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is VFIIDBUGFMHPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-11(2)12(8-14)9-15-10-13(16(3)4)6-5-7-13/h11-12,15H,5-10,14H2,1-4H3.
What are the key properties of N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-propan-2-ylpropane-1,3-diamine?
N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 227.40 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 107442883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).