3-[ethyl(propyl)amino]propanimidamide

C8H19N3 — CID 43268845

IUPAC3-[ethyl(propyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CC)CCC
InChIInChI=1S/C8H19N3/c1-3-6-11(4-2)7-5-8(9)10/h3-7H2,1-2H3,(H3,9,10)
InChIKeyKQIYHDWCLAUSEB-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.04
Rot. Bonds6

About 3-[ethyl(propyl)amino]propanimidamide

3-[ethyl(propyl)amino]propanimidamide (PubChem CID 43268845) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-[ethyl(propyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[ethyl(propyl)amino]propanimidamide
PubChem CID43268845
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC Name3-[ethyl(propyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CC)CCC
InChIInChI=1S/C8H19N3/c1-3-6-11(4-2)7-5-8(9)10/h3-7H2,1-2H3,(H3,9,10)
InChIKeyKQIYHDWCLAUSEB-UHFFFAOYSA-N
XLogP1.04
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.04
H-Bond Donors ≤ 52
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

(3-(Dimethylamino)propyl)ethylcarbodiimide hydrochloride
CID 3014536
3-(Dimethylamino)propanimidamide dihydrochloride
CID 47002520
1-Ethyl-3-(4-azonia-4,4-dimethylpentyl)carbodiimide
CID 193831
N,N-diethylpropanimidamide
CID 13109962
N,N-Diethylbutanimidamide
CID 57106491
N'-[3-(dimethylamino)propyl]propanimidamide
CID 3014537
3-(Dimethylamino)propanimidamide
CID 3307867
4-(Dimethylamino)butanimidamide
CID 21508029
N,N-dipropylethanimidamide
CID 62047941
N,N-dipropylpropanimidamide
CID 62047942
N,N-Diethyl-N'-((isopropyl)carbonimidoyl)propane-1,3-diamine
CID 3017529
3-[2,2-Difluoroethyl(ethyl)amino]-2-methylpropanimidamide
CID 61577218

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(propyl)amino]propanimidamide?
The IUPAC name of 3-[ethyl(propyl)amino]propanimidamide (CID 43268845) is 3-[ethyl(propyl)amino]propanimidamide.
What is the SMILES notation for 3-[ethyl(propyl)amino]propanimidamide?
The canonical SMILES for 3-[ethyl(propyl)amino]propanimidamide is [H]/N=C(\N)CCN(CC)CCC.
What is the InChIKey of 3-[ethyl(propyl)amino]propanimidamide?
The InChIKey is KQIYHDWCLAUSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3/c1-3-6-11(4-2)7-5-8(9)10/h3-7H2,1-2H3,(H3,9,10).
What are the key properties of 3-[ethyl(propyl)amino]propanimidamide?
3-[ethyl(propyl)amino]propanimidamide has a molecular weight of 157.26 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(propyl)amino]propanimidamide is sourced from PubChem (CID 43268845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).