N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]-2-methylidenepropane-1,3-diamine

C11H22N2 — CID 103070697

IUPACN,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]-2-methylidenepropane-1,3-diamine
SMILESC=C(CNC)CN(C)CC1CC1C
InChIInChI=1S/C11H22N2/c1-9(6-12-3)7-13(4)8-11-5-10(11)2/h10-12H,1,5-8H2,2-4H3
InChIKeyAQWVMBOVLNXZNW-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.35
Rot. Bonds6

About N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]-2-methylidenepropane-1,3-diamine

N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]-2-methylidenepropane-1,3-diamine (PubChem CID 103070697) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]-2-methylidenepropane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]-2-methylidenepropane-1,3-diamine
PubChem CID103070697
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]-2-methylidenepropane-1,3-diamine
SMILESC=C(CNC)CN(C)CC1CC1C
InChIInChI=1S/C11H22N2/c1-9(6-12-3)7-13(4)8-11-5-10(11)2/h10-12H,1,5-8H2,2-4H3
InChIKeyAQWVMBOVLNXZNW-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
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-(cyclobutylmethyl)-N,N'-dimethyl-2-methylidenepropane-1,3-diamine
CID 103070368
1-[[methyl-[2-(methylaminomethyl)prop-2-enyl]amino]methyl]cyclopentan-1-ol
CID 103071409
5-[methyl-[2-(methylaminomethyl)prop-2-enyl]amino]pentan-1-ol
CID 107203626
N-(4,4-dimethylcyclohexyl)-N,N'-dimethyl-2-methylidenepropane-1,3-diamine
CID 103071030
N,N-dimethyl-1-[(1R,2R)-2-methylcyclopropyl]methanamine
CID 129256150
N,N-dimethyl-1-[(2S)-2-methylcyclopropyl]methanamine
CID 153082605
2-(methylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanoic acid
CID 63866270
N-ethyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine
CID 63865857
N,N-dibutyl-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103069188
N-methyl-3-(methylamino)-N-[(2-methylcyclopropyl)methyl]propanamide
CID 63866438
2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclopentan-1-ol
CID 63866134
ethane;N-methyl-N-[(2-methylcyclopropyl)methyl]butan-1-amine
CID 145095631

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]-2-methylidenepropane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]-2-methylidenepropane-1,3-diamine (CID 103070697) is N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]-2-methylidenepropane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]-2-methylidenepropane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]-2-methylidenepropane-1,3-diamine is C=C(CNC)CN(C)CC1CC1C.
What is the InChIKey of N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]-2-methylidenepropane-1,3-diamine?
The InChIKey is AQWVMBOVLNXZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-9(6-12-3)7-13(4)8-11-5-10(11)2/h10-12H,1,5-8H2,2-4H3.
What are the key properties of N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]-2-methylidenepropane-1,3-diamine?
N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]-2-methylidenepropane-1,3-diamine has a molecular weight of 182.31 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]-2-methylidenepropane-1,3-diamine is sourced from PubChem (CID 103070697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).