N-[[1-(dimethylamino)cyclobutyl]methyl]-N',N'-dimethylpropane-1,3-diamine

C12H27N3 — CID 105416972

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNCC1(N(C)C)CCC1
InChIInChI=1S/C12H27N3/c1-14(2)10-6-9-13-11-12(15(3)4)7-5-8-12/h13H,5-11H2,1-4H3
InChIKeyMPSBHXVFFXFVTQ-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.01
Rot. Bonds7

About N-[[1-(dimethylamino)cyclobutyl]methyl]-N',N'-dimethylpropane-1,3-diamine

N-[[1-(dimethylamino)cyclobutyl]methyl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 105416972) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID105416972
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNCC1(N(C)C)CCC1
InChIInChI=1S/C12H27N3/c1-14(2)10-6-9-13-11-12(15(3)4)7-5-8-12/h13H,5-11H2,1-4H3
InChIKeyMPSBHXVFFXFVTQ-UHFFFAOYSA-N
XLogP1.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[3-(dimethylamino)propylamino]methyl]cyclopentan-1-ol
CID 65211357
N,N-dimethyl-1-[(3-methylsulfanylpropylamino)methyl]cyclohexan-1-amine
CID 28622139
methyl 4-[[1-(dimethylamino)cyclobutyl]methylamino]butanoate
CID 105416398
4-[[1-(dimethylamino)cyclobutyl]methylamino]-N,N-dimethylbutanamide
CID 105416919
5-[[1-(dimethylamino)cyclopentyl]methylamino]pentanoic acid
CID 103262326
methyl 4-[[1-(dimethylamino)cyclopentyl]methylamino]butanoate
CID 83121631
3-[[1-(dimethylamino)cyclobutyl]methylamino]-N'-hydroxypropanimidamide
CID 105418384
5-[[1-(dimethylamino)cyclopentyl]methylamino]-2,2-dimethylpentanenitrile
CID 83121516
N,N-dimethyl-1-[(3-phenoxypropylamino)methyl]cyclopentan-1-amine
CID 78915355
N,N-dimethyl-1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclobutan-1-amine
CID 105416787
3-[[1-(dimethylamino)cyclobutyl]methylamino]propanoic acid
CID 105416372
N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine
CID 10999288

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-N',N'-dimethylpropane-1,3-diamine (CID 105416972) is N-[[1-(dimethylamino)cyclobutyl]methyl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNCC1(N(C)C)CCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is MPSBHXVFFXFVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-14(2)10-6-9-13-11-12(15(3)4)7-5-8-12/h13H,5-11H2,1-4H3.
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-N',N'-dimethylpropane-1,3-diamine?
N-[[1-(dimethylamino)cyclobutyl]methyl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 213.37 g/mol, XLogP of 1.01, 7 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',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 105416972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).