3-[3-(2-methylpropylamino)cyclobutyl]propanimidamide

C11H23N3 — CID 144721365

IUPAC3-[3-(2-methylpropylamino)cyclobutyl]propanimidamide
SMILES[H]/N=C(\N)CCC1CC(NCC(C)C)C1
InChIInChI=1S/C11H23N3/c1-8(2)7-14-10-5-9(6-10)3-4-11(12)13/h8-10,14H,3-7H2,1-2H3,(H3,12,13)
InChIKeyQAKNEDGDVBHJNG-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.73
Rot. Bonds6

About 3-[3-(2-methylpropylamino)cyclobutyl]propanimidamide

3-[3-(2-methylpropylamino)cyclobutyl]propanimidamide (PubChem CID 144721365) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 3-[3-(2-methylpropylamino)cyclobutyl]propanimidamide.

Molecular Properties

Compound Name3-[3-(2-methylpropylamino)cyclobutyl]propanimidamide
PubChem CID144721365
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name3-[3-(2-methylpropylamino)cyclobutyl]propanimidamide
SMILES[H]/N=C(\N)CCC1CC(NCC(C)C)C1
InChIInChI=1S/C11H23N3/c1-8(2)7-14-10-5-9(6-10)3-4-11(12)13/h8-10,14H,3-7H2,1-2H3,(H3,12,13)
InChIKeyQAKNEDGDVBHJNG-UHFFFAOYSA-N
XLogP1.73
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.73
H-Bond Donors ≤ 53
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-(2-methylpropylamino)propanimidamide;dihydrochloride
CID 172716641
3-cyclopentylpropanimidamide
CID 83681795
3-[1-(cyclopropylmethyl)-5-(2-methylpropylamino)piperidin-3-yl]propanoic acid
CID 83994612
3-[(methylideneamino)methyl]-N-(2-methylpropyl)cyclobutan-1-amine
CID 134259785
methanol;N-(2-methylpropyl)cyclopentanamine
CID 166557930
4-(3-amino-3-iminopropyl)piperidine-1-carboximidamide
CID 142657807
3-methylbutanimidamide;hydrochloride
CID 18967932
ethane;N-(2-methylpropyl)cyclopentanamine
CID 156893756
butanediimidamide;dihydrochloride
CID 88614640
1-N-[2-(dimethylamino)-4-methylpentyl]cyclobutane-1,3-diamine
CID 80559919
3-[(3-aminocyclobutyl)amino]-2-methylpropanenitrile
CID 80562417
5-hydroxy-4-methylpentanimidamide
CID 91614670

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylpropylamino)cyclobutyl]propanimidamide?
The IUPAC name of 3-[3-(2-methylpropylamino)cyclobutyl]propanimidamide (CID 144721365) is 3-[3-(2-methylpropylamino)cyclobutyl]propanimidamide.
What is the SMILES notation for 3-[3-(2-methylpropylamino)cyclobutyl]propanimidamide?
The canonical SMILES for 3-[3-(2-methylpropylamino)cyclobutyl]propanimidamide is [H]/N=C(\N)CCC1CC(NCC(C)C)C1.
What is the InChIKey of 3-[3-(2-methylpropylamino)cyclobutyl]propanimidamide?
The InChIKey is QAKNEDGDVBHJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-8(2)7-14-10-5-9(6-10)3-4-11(12)13/h8-10,14H,3-7H2,1-2H3,(H3,12,13).
What are the key properties of 3-[3-(2-methylpropylamino)cyclobutyl]propanimidamide?
3-[3-(2-methylpropylamino)cyclobutyl]propanimidamide has a molecular weight of 197.33 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylpropylamino)cyclobutyl]propanimidamide is sourced from PubChem (CID 144721365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).