N-(cyclobutylmethyl)-N,N'-dimethyl-2-methylidenepropane-1,3-diamine

C11H22N2 — CID 103070368

IUPACN-(cyclobutylmethyl)-N,N'-dimethyl-2-methylidenepropane-1,3-diamine
SMILESC=C(CNC)CN(C)CC1CCC1
InChIInChI=1S/C11H22N2/c1-10(7-12-2)8-13(3)9-11-5-4-6-11/h11-12H,1,4-9H2,2-3H3
InChIKeyGJPDEUOCURKXKK-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.49
Rot. Bonds6

About N-(cyclobutylmethyl)-N,N'-dimethyl-2-methylidenepropane-1,3-diamine

N-(cyclobutylmethyl)-N,N'-dimethyl-2-methylidenepropane-1,3-diamine (PubChem CID 103070368) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N,N'-dimethyl-2-methylidenepropane-1,3-diamine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N,N'-dimethyl-2-methylidenepropane-1,3-diamine
PubChem CID103070368
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN-(cyclobutylmethyl)-N,N'-dimethyl-2-methylidenepropane-1,3-diamine
SMILESC=C(CNC)CN(C)CC1CCC1
InChIInChI=1S/C11H22N2/c1-10(7-12-2)8-13(3)9-11-5-4-6-11/h11-12H,1,4-9H2,2-3H3
InChIKeyGJPDEUOCURKXKK-UHFFFAOYSA-N
XLogP1.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]-2-methylidenepropane-1,3-diamine
CID 103070697
2-[[cyclopentylmethyl(methyl)amino]methyl]prop-2-ene-1-thiol
CID 103073172
3-[cyclobutyl-[2-(methylaminomethyl)prop-2-enyl]amino]propan-1-ol
CID 103071457
1-[cyclobutylmethyl(methyl)amino]-3-(methylamino)propan-2-ol
CID 62860043
N-methyl-2-(piperidin-3-ylmethyl)prop-2-en-1-amine
CID 117266391
N-methyl-2-methylidene-N-(piperidin-4-ylmethyl)butan-1-amine
CID 79717112
N-(4,4-dimethylcyclohexyl)-N,N'-dimethyl-2-methylidenepropane-1,3-diamine
CID 103071030
1-[cyclobutylmethyl(methyl)amino]-3,3-dimethylbutan-2-one
CID 62862391
2-[cyclobutylmethyl(methyl)amino]-1-cyclopentylethanone
CID 104750664
2-[[methyl(oxan-3-ylmethyl)amino]methyl]prop-2-ene-1-thiol
CID 103073181
N-methyl-2-(piperidin-4-ylmethyl)prop-2-en-1-amine
CID 117266307
2-[(1-ethylpiperidin-3-yl)methyl]-N-methylprop-2-en-1-amine
CID 117266395

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N,N'-dimethyl-2-methylidenepropane-1,3-diamine?
The IUPAC name of N-(cyclobutylmethyl)-N,N'-dimethyl-2-methylidenepropane-1,3-diamine (CID 103070368) is N-(cyclobutylmethyl)-N,N'-dimethyl-2-methylidenepropane-1,3-diamine.
What is the SMILES notation for N-(cyclobutylmethyl)-N,N'-dimethyl-2-methylidenepropane-1,3-diamine?
The canonical SMILES for N-(cyclobutylmethyl)-N,N'-dimethyl-2-methylidenepropane-1,3-diamine is C=C(CNC)CN(C)CC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-N,N'-dimethyl-2-methylidenepropane-1,3-diamine?
The InChIKey is GJPDEUOCURKXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-10(7-12-2)8-13(3)9-11-5-4-6-11/h11-12H,1,4-9H2,2-3H3.
What are the key properties of N-(cyclobutylmethyl)-N,N'-dimethyl-2-methylidenepropane-1,3-diamine?
N-(cyclobutylmethyl)-N,N'-dimethyl-2-methylidenepropane-1,3-diamine has a molecular weight of 182.31 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N,N'-dimethyl-2-methylidenepropane-1,3-diamine is sourced from PubChem (CID 103070368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).