3-[4-[3-[1-(3-amino-3-iminopropyl)piperidin-4-yl]propyl]piperidin-1-yl]propanimidamide

C19H38N6 — CID 4108841

IUPAC3-[4-[3-[1-(3-amino-3-iminopropyl)piperidin-4-yl]propyl]piperidin-1-yl]propanimidamide
SMILES[H]/N=C(\N)CCN1CCC(CCCC2CCN(CC/C(N)=N/[H])CC2)CC1
InChIInChI=1S/C19H38N6/c20-18(21)8-14-24-10-4-16(5-11-24)2-1-3-17-6-12-25(13-7-17)15-9-19(22)23/h16-17H,1-15H2,(H3,20,21)(H3,22,23)
InChIKeyOUBOMPGPWLDGKT-UHFFFAOYSA-N
MW350.56 g/mol
LogP2.23
Rot. Bonds10

About 3-[4-[3-[1-(3-amino-3-iminopropyl)piperidin-4-yl]propyl]piperidin-1-yl]propanimidamide

3-[4-[3-[1-(3-amino-3-iminopropyl)piperidin-4-yl]propyl]piperidin-1-yl]propanimidamide (PubChem CID 4108841) has the molecular formula C19H38N6 and a molecular weight of 350.56 g/mol. Its IUPAC name is 3-[4-[3-[1-(3-amino-3-iminopropyl)piperidin-4-yl]propyl]piperidin-1-yl]propanimidamide.

Molecular Properties

Compound Name3-[4-[3-[1-(3-amino-3-iminopropyl)piperidin-4-yl]propyl]piperidin-1-yl]propanimidamide
PubChem CID4108841
Molecular FormulaC19H38N6
Molecular Weight350.56 g/mol
Exact Mass350.32
IUPAC Name3-[4-[3-[1-(3-amino-3-iminopropyl)piperidin-4-yl]propyl]piperidin-1-yl]propanimidamide
SMILES[H]/N=C(\N)CCN1CCC(CCCC2CCN(CC/C(N)=N/[H])CC2)CC1
InChIInChI=1S/C19H38N6/c20-18(21)8-14-24-10-4-16(5-11-24)2-1-3-17-6-12-25(13-7-17)15-9-19(22)23/h16-17H,1-15H2,(H3,20,21)(H3,22,23)
InChIKeyOUBOMPGPWLDGKT-UHFFFAOYSA-N
XLogP2.23
TPSA106.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.56
LogP ≤ 52.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-(4-methylpiperazin-1-yl)propanimidamide
CID 24709973
4-(3-amino-3-iminopropyl)piperidine-1-carboximidamide
CID 142657807
3-[4-(2-hydroxyethoxy)piperidin-1-yl]propanimidamide
CID 82696701
3-cyclopentylpropanimidamide
CID 83681795
4-[4-[3-[1-(3-oxobutyl)piperidin-4-yl]propyl]piperidin-1-yl]butan-2-one
CID 59793355
3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanimidamide
CID 112625824
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propanimidamide
CID 63150581
N'-hydroxy-3-(4-propylpiperidin-1-yl)propanimidamide
CID 76937108
4-(4-propylpiperazin-1-yl)butanimidamide
CID 24694384
N-[3-(1-aminoethenylamino)propyl]-3-[4-[3-[1-[3-[3-(1-aminoethenylamino)propylamino]-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]propanamide
CID 121306066
3-(3-hydroxy-3-methylazetidin-1-yl)propanimidamide
CID 130979083
3-(4-benzylpiperazin-1-yl)propanimidamide
CID 24689819

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-[1-(3-amino-3-iminopropyl)piperidin-4-yl]propyl]piperidin-1-yl]propanimidamide?
The IUPAC name of 3-[4-[3-[1-(3-amino-3-iminopropyl)piperidin-4-yl]propyl]piperidin-1-yl]propanimidamide (CID 4108841) is 3-[4-[3-[1-(3-amino-3-iminopropyl)piperidin-4-yl]propyl]piperidin-1-yl]propanimidamide.
What is the SMILES notation for 3-[4-[3-[1-(3-amino-3-iminopropyl)piperidin-4-yl]propyl]piperidin-1-yl]propanimidamide?
The canonical SMILES for 3-[4-[3-[1-(3-amino-3-iminopropyl)piperidin-4-yl]propyl]piperidin-1-yl]propanimidamide is [H]/N=C(\N)CCN1CCC(CCCC2CCN(CC/C(N)=N/[H])CC2)CC1.
What is the InChIKey of 3-[4-[3-[1-(3-amino-3-iminopropyl)piperidin-4-yl]propyl]piperidin-1-yl]propanimidamide?
The InChIKey is OUBOMPGPWLDGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N6/c20-18(21)8-14-24-10-4-16(5-11-24)2-1-3-17-6-12-25(13-7-17)15-9-19(22)23/h16-17H,1-15H2,(H3,20,21)(H3,22,23).
What are the key properties of 3-[4-[3-[1-(3-amino-3-iminopropyl)piperidin-4-yl]propyl]piperidin-1-yl]propanimidamide?
3-[4-[3-[1-(3-amino-3-iminopropyl)piperidin-4-yl]propyl]piperidin-1-yl]propanimidamide has a molecular weight of 350.56 g/mol, XLogP of 2.23, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-[1-(3-amino-3-iminopropyl)piperidin-4-yl]propyl]piperidin-1-yl]propanimidamide is sourced from PubChem (CID 4108841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).