3-[ethyl(propyl)amino]butanimidamide

C9H21N3 — CID 60913163

IUPAC3-[ethyl(propyl)amino]butanimidamide
SMILES[H]/N=C(\N)CC(C)N(CC)CCC
InChIInChI=1S/C9H21N3/c1-4-6-12(5-2)8(3)7-9(10)11/h8H,4-7H2,1-3H3,(H3,10,11)
InChIKeyPTPINTJZEHYSCW-UHFFFAOYSA-N
MW171.29 g/mol
LogP1.43
Rot. Bonds6

About 3-[ethyl(propyl)amino]butanimidamide

3-[ethyl(propyl)amino]butanimidamide (PubChem CID 60913163) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is 3-[ethyl(propyl)amino]butanimidamide.

Molecular Properties

Compound Name3-[ethyl(propyl)amino]butanimidamide
PubChem CID60913163
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name3-[ethyl(propyl)amino]butanimidamide
SMILES[H]/N=C(\N)CC(C)N(CC)CCC
InChIInChI=1S/C9H21N3/c1-4-6-12(5-2)8(3)7-9(10)11/h8H,4-7H2,1-3H3,(H3,10,11)
InChIKeyPTPINTJZEHYSCW-UHFFFAOYSA-N
XLogP1.43
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 51.43
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-(diethylamino)butanimidamide
CID 60913341
3-[2-(diethylamino)ethyl-methylamino]butanimidamide
CID 107912511
3-[methyl(2-propylsulfonylethyl)amino]butanimidamide
CID 106725449
3-aminopentanimidamide
CID 79498775
3-[3,3-dimethylbutyl(methyl)amino]butanimidamide
CID 63225019
3-methylbutanimidamide;hydrochloride
CID 18967932
2-N-ethyl-2-N-propylpropane-1,2-diamine
CID 43268522
3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-methylamino]butanimidamide
CID 104563650
3-[bis(2-methoxyethyl)amino]pentanimidamide
CID 61418773
3-[cyclopropylmethyl(methyl)amino]butanimidamide
CID 60984083
3-(dipropylamino)-N'-hydroxybutanimidamide
CID 76883738
3-[methyl-[2-(3-methylbutoxy)ethyl]amino]butanimidamide
CID 63224607

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(propyl)amino]butanimidamide?
The IUPAC name of 3-[ethyl(propyl)amino]butanimidamide (CID 60913163) is 3-[ethyl(propyl)amino]butanimidamide.
What is the SMILES notation for 3-[ethyl(propyl)amino]butanimidamide?
The canonical SMILES for 3-[ethyl(propyl)amino]butanimidamide is [H]/N=C(\N)CC(C)N(CC)CCC.
What is the InChIKey of 3-[ethyl(propyl)amino]butanimidamide?
The InChIKey is PTPINTJZEHYSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-4-6-12(5-2)8(3)7-9(10)11/h8H,4-7H2,1-3H3,(H3,10,11).
What are the key properties of 3-[ethyl(propyl)amino]butanimidamide?
3-[ethyl(propyl)amino]butanimidamide has a molecular weight of 171.29 g/mol, XLogP of 1.43, 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]butanimidamide is sourced from PubChem (CID 60913163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).