3-[dimethylamino(ethyl)amino]propanimidamide

C7H18N4 — CID 150321810

IUPAC3-[dimethylamino(ethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CC)N(C)C
InChIInChI=1S/C7H18N4/c1-4-11(10(2)3)6-5-7(8)9/h4-6H2,1-3H3,(H3,8,9)
InChIKeyGNULPCPGZMAMHF-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.11
Rot. Bonds5

About 3-[dimethylamino(ethyl)amino]propanimidamide

3-[dimethylamino(ethyl)amino]propanimidamide (PubChem CID 150321810) has the molecular formula C7H18N4 and a molecular weight of 158.25 g/mol. Its IUPAC name is 3-[dimethylamino(ethyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[dimethylamino(ethyl)amino]propanimidamide
PubChem CID150321810
Molecular FormulaC7H18N4
Molecular Weight158.25 g/mol
Exact Mass158.15
IUPAC Name3-[dimethylamino(ethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CC)N(C)C
InChIInChI=1S/C7H18N4/c1-4-11(10(2)3)6-5-7(8)9/h4-6H2,1-3H3,(H3,8,9)
InChIKeyGNULPCPGZMAMHF-UHFFFAOYSA-N
XLogP0.11
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(Diethylamino)propanimidamide
CID 24689851
3-(3-Aminopropylamino)propanimidamide
CID 140382237
3-[Bis(3-amino-3-iminopropyl)amino]propanimidamide
CID 143800285
3-(Dipropylamino)propanimidamide
CID 24707340
3-[Ethyl(methyl)amino]propanimidamide
CID 28387389
3-[Methyl(propyl)amino]propanimidamide
CID 28387403
3-[Ethyl(propyl)amino]propanimidamide
CID 43268845
N'-amino-3-(diethylamino)propanimidamide
CID 61345080
3-[3-(Dimethylamino)propyl-methylamino]propanimidamide
CID 63694545
4-[3-(Dimethylamino)propyl-methylamino]butanimidamide
CID 63694885
3-(Diethylamino)propanimidamide;hydrochloride
CID 82021474
4-[3-(Dimethylamino)propyl-ethylamino]butanimidamide
CID 102993815

Frequently Asked Questions

What is the IUPAC name of 3-[dimethylamino(ethyl)amino]propanimidamide?
The IUPAC name of 3-[dimethylamino(ethyl)amino]propanimidamide (CID 150321810) is 3-[dimethylamino(ethyl)amino]propanimidamide.
What is the SMILES notation for 3-[dimethylamino(ethyl)amino]propanimidamide?
The canonical SMILES for 3-[dimethylamino(ethyl)amino]propanimidamide is [H]/N=C(\N)CCN(CC)N(C)C.
What is the InChIKey of 3-[dimethylamino(ethyl)amino]propanimidamide?
The InChIKey is GNULPCPGZMAMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4/c1-4-11(10(2)3)6-5-7(8)9/h4-6H2,1-3H3,(H3,8,9).
What are the key properties of 3-[dimethylamino(ethyl)amino]propanimidamide?
3-[dimethylamino(ethyl)amino]propanimidamide has a molecular weight of 158.25 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethylamino(ethyl)amino]propanimidamide is sourced from PubChem (CID 150321810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).