N',N'-dimethyl-N-(2-methylprop-2-enyl)propane-1,3-diamine

C9H20N2 — CID 18466420

IUPACN',N'-dimethyl-N-(2-methylprop-2-enyl)propane-1,3-diamine
SMILESC=C(C)CNCCCN(C)C
InChIInChI=1S/C9H20N2/c1-9(2)8-10-6-5-7-11(3)4/h10H,1,5-8H2,2-4H3
InChIKeyCYZATINNTNJDJC-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.10
Rot. Bonds6

About N',N'-dimethyl-N-(2-methylprop-2-enyl)propane-1,3-diamine

N',N'-dimethyl-N-(2-methylprop-2-enyl)propane-1,3-diamine (PubChem CID 18466420) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N',N'-dimethyl-N-(2-methylprop-2-enyl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(2-methylprop-2-enyl)propane-1,3-diamine
PubChem CID18466420
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN',N'-dimethyl-N-(2-methylprop-2-enyl)propane-1,3-diamine
SMILESC=C(C)CNCCCN(C)C
InChIInChI=1S/C9H20N2/c1-9(2)8-10-6-5-7-11(3)4/h10H,1,5-8H2,2-4H3
InChIKeyCYZATINNTNJDJC-UHFFFAOYSA-N
XLogP1.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Propen-1-amine, N-ethyl-2-methyl-
CID 87587
Bis(2-methylprop-2-en-1-yl)amine
CID 233709
N-ethyl-N'-[3-[3-(2-methylprop-2-enylamino)propylamino]propyl]propane-1,3-diamine
CID 45271264
N~1~,N~1~-Dimethylpropane-1,3-diamine--2-methylprop-1-ene (1/1)
CID 160336
N-tert-Butyl-2-methylprop-2-en-1-amine
CID 14244679
5-Methyl-11-methylidene-5,9-diaza-1-azoniabicyclo[7.3.3]pentadecane iodide
CID 139119747
N,N'-dimethyl-2-methylene-trimethylenediamine
CID 12427674
Bis(2-methylallyl)amine hydrochloride
CID 21496889
N,N'-dibutyl-2-methylidenepropane-1,3-diamine
CID 10608042
11-Methylidene-1,5,9-triazabicyclo[7.3.3]pentadecane
CID 13677181
N-prenylputrescin
CID 102249184
1,1-Bis(2'-aminoethylaminomethyl)-ethene
CID 129830578

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(2-methylprop-2-enyl)propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-(2-methylprop-2-enyl)propane-1,3-diamine (CID 18466420) is N',N'-dimethyl-N-(2-methylprop-2-enyl)propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(2-methylprop-2-enyl)propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-(2-methylprop-2-enyl)propane-1,3-diamine is C=C(C)CNCCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-(2-methylprop-2-enyl)propane-1,3-diamine?
The InChIKey is CYZATINNTNJDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-9(2)8-10-6-5-7-11(3)4/h10H,1,5-8H2,2-4H3.
What are the key properties of N',N'-dimethyl-N-(2-methylprop-2-enyl)propane-1,3-diamine?
N',N'-dimethyl-N-(2-methylprop-2-enyl)propane-1,3-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.10, 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-methylprop-2-enyl)propane-1,3-diamine is sourced from PubChem (CID 18466420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).