N-[3-(dimethylamino)propyl]-N'-methyl-N-prop-1-en-2-ylmethanimidamide

C10H21N3 — CID 143378955

IUPACN-[3-(dimethylamino)propyl]-N'-methyl-N-prop-1-en-2-ylmethanimidamide
SMILESC=C(C)N(/C=N/C)CCCN(C)C
InChIInChI=1S/C10H21N3/c1-10(2)13(9-11-3)8-6-7-12(4)5/h9H,1,6-8H2,2-5H3/b11-9+
InChIKeyWXTXYLYSCQXCHF-PKNBQFBNSA-N
MW183.30 g/mol
LogP1.43
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-N'-methyl-N-prop-1-en-2-ylmethanimidamide

N-[3-(dimethylamino)propyl]-N'-methyl-N-prop-1-en-2-ylmethanimidamide (PubChem CID 143378955) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N'-methyl-N-prop-1-en-2-ylmethanimidamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N'-methyl-N-prop-1-en-2-ylmethanimidamide
PubChem CID143378955
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC NameN-[3-(dimethylamino)propyl]-N'-methyl-N-prop-1-en-2-ylmethanimidamide
SMILESC=C(C)N(/C=N/C)CCCN(C)C
InChIInChI=1S/C10H21N3/c1-10(2)13(9-11-3)8-6-7-12(4)5/h9H,1,6-8H2,2-5H3/b11-9+
InChIKeyWXTXYLYSCQXCHF-PKNBQFBNSA-N
XLogP1.43
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[1-(dimethylamino)prop-1-en-2-yl]-N,N-dimethylmethanimidamide
CID 57036492
1-prop-1-en-2-yl-5,6-dihydro-4H-pyrimidine
CID 70349310
1-Methyl-6-methylidene-4,5-dihydropyrimidine
CID 91610482
But-1-en-2-yl-dimethyl-(methyliminomethyl)azanium
CID 123840682
[Buta-1,3-dien-2-yl(propyl)amino]methylidene-dimethylazanium
CID 124034455
N'-(2,2-dimethylpropyl)-N-methyl-N-prop-1-en-2-ylmethanimidamide
CID 132077455
N-ethyl-N'-methyl-N-prop-1-en-2-ylmethanimidamide
CID 138751746
N-methyl-N'-(2-methylprop-1-enyl)-N-[3-[methyl(propyl)amino]propyl]methanimidamide
CID 139374736
N-(3-aminopropyl)-N-methyl-N'-prop-1-en-2-ylmethanimidamide
CID 139418893
ethane;1-prop-1-en-2-yl-5,6-dihydro-4H-pyrimidine
CID 143547335
ethane;N'-methyl-N-prop-1-en-2-yl-N-propylmethanimidamide
CID 144135291
N'-but-1-en-2-yl-N-ethyl-N-methylmethanimidamide
CID 146389581

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N'-methyl-N-prop-1-en-2-ylmethanimidamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N'-methyl-N-prop-1-en-2-ylmethanimidamide (CID 143378955) is N-[3-(dimethylamino)propyl]-N'-methyl-N-prop-1-en-2-ylmethanimidamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N'-methyl-N-prop-1-en-2-ylmethanimidamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N'-methyl-N-prop-1-en-2-ylmethanimidamide is C=C(C)N(/C=N/C)CCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N'-methyl-N-prop-1-en-2-ylmethanimidamide?
The InChIKey is WXTXYLYSCQXCHF-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H21N3/c1-10(2)13(9-11-3)8-6-7-12(4)5/h9H,1,6-8H2,2-5H3/b11-9+.
What are the key properties of N-[3-(dimethylamino)propyl]-N'-methyl-N-prop-1-en-2-ylmethanimidamide?
N-[3-(dimethylamino)propyl]-N'-methyl-N-prop-1-en-2-ylmethanimidamide has a molecular weight of 183.30 g/mol, XLogP of 1.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N'-methyl-N-prop-1-en-2-ylmethanimidamide is sourced from PubChem (CID 143378955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).