N'-[3-(dimethylamino)propyl]-N,N-dimethylethanimidamide

C9H21N3 — CID 6432127

IUPACN'-[3-(dimethylamino)propyl]-N,N-dimethylethanimidamide
SMILESC/C(=N\CCCN(C)C)N(C)C
InChIInChI=1S/C9H21N3/c1-9(12(4)5)10-7-6-8-11(2)3/h6-8H2,1-5H3/b10-9+
InChIKeyHTHDPZXRPTYKER-MDZDMXLPSA-N
MW171.29 g/mol
LogP0.92
Rot. Bonds4

About N'-[3-(dimethylamino)propyl]-N,N-dimethylethanimidamide

N'-[3-(dimethylamino)propyl]-N,N-dimethylethanimidamide (PubChem CID 6432127) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is N'-[3-(dimethylamino)propyl]-N,N-dimethylethanimidamide.

Molecular Properties

Compound NameN'-[3-(dimethylamino)propyl]-N,N-dimethylethanimidamide
PubChem CID6432127
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC NameN'-[3-(dimethylamino)propyl]-N,N-dimethylethanimidamide
SMILESC/C(=N\CCCN(C)C)N(C)C
InChIInChI=1S/C9H21N3/c1-9(12(4)5)10-7-6-8-11(2)3/h6-8H2,1-5H3/b10-9+
InChIKeyHTHDPZXRPTYKER-MDZDMXLPSA-N
XLogP0.92
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Pyrimidine, 1,4,5,6-tetrahydro-1,2-dimethyl-
CID 77953
1-Ethyl-3-(4-azonia-4,4-dimethylpentyl)carbodiimide
CID 193831
1,2,3-trimethyl-5,6-dihydro-4H-pyrimidin-1-ium
CID 499194
N'-[3-(dimethylamino)propyl]propanimidamide
CID 3014537
N'-(2-fluoro-2-methylpropyl)-N,N-dimethylethanimidamide
CID 123557300
N'-Butyl-N,N-dimethyl-acetamidine
CID 525277
N'-Isobutyl-N,N-dimethyl-acetamidine
CID 525281
Ethanimidamide, N,N-dimethyl-N'-pentyl-
CID 525283
N'-Propyl-N,N-dimethyl-acetamidine
CID 525285
N,N-Dimethyl-N'-propyl-isobutyramidine
CID 525846
N,N-dimethyl-N'-propylpropanimidamide
CID 22211913
N,N-Diethyl-N'-propylacetamidine
CID 519058

Frequently Asked Questions

What is the IUPAC name of N'-[3-(dimethylamino)propyl]-N,N-dimethylethanimidamide?
The IUPAC name of N'-[3-(dimethylamino)propyl]-N,N-dimethylethanimidamide (CID 6432127) is N'-[3-(dimethylamino)propyl]-N,N-dimethylethanimidamide.
What is the SMILES notation for N'-[3-(dimethylamino)propyl]-N,N-dimethylethanimidamide?
The canonical SMILES for N'-[3-(dimethylamino)propyl]-N,N-dimethylethanimidamide is C/C(=N\CCCN(C)C)N(C)C.
What is the InChIKey of N'-[3-(dimethylamino)propyl]-N,N-dimethylethanimidamide?
The InChIKey is HTHDPZXRPTYKER-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H21N3/c1-9(12(4)5)10-7-6-8-11(2)3/h6-8H2,1-5H3/b10-9+.
What are the key properties of N'-[3-(dimethylamino)propyl]-N,N-dimethylethanimidamide?
N'-[3-(dimethylamino)propyl]-N,N-dimethylethanimidamide has a molecular weight of 171.29 g/mol, XLogP of 0.92, 4 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,N-dimethylethanimidamide is sourced from PubChem (CID 6432127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).