3-[propan-2-yl(3-pyrrolidin-1-ylpropyl)amino]propanimidamide

C13H28N4 — CID 54996674

IUPAC3-[propan-2-yl(3-pyrrolidin-1-ylpropyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCCN1CCCC1)C(C)C
InChIInChI=1S/C13H28N4/c1-12(2)17(11-6-13(14)15)10-5-9-16-7-3-4-8-16/h12H,3-11H2,1-2H3,(H3,14,15)
InChIKeyRYWOSXPGSIUOPK-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.51
Rot. Bonds8

About 3-[propan-2-yl(3-pyrrolidin-1-ylpropyl)amino]propanimidamide

3-[propan-2-yl(3-pyrrolidin-1-ylpropyl)amino]propanimidamide (PubChem CID 54996674) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-[propan-2-yl(3-pyrrolidin-1-ylpropyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[propan-2-yl(3-pyrrolidin-1-ylpropyl)amino]propanimidamide
PubChem CID54996674
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC Name3-[propan-2-yl(3-pyrrolidin-1-ylpropyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCCN1CCCC1)C(C)C
InChIInChI=1S/C13H28N4/c1-12(2)17(11-6-13(14)15)10-5-9-16-7-3-4-8-16/h12H,3-11H2,1-2H3,(H3,14,15)
InChIKeyRYWOSXPGSIUOPK-UHFFFAOYSA-N
XLogP1.51
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.51
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'}

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Related Compounds

N'-hydroxy-3-[propan-2-yl(3-pyrrolidin-1-ylpropyl)amino]propanimidamide
CID 54998200
N-(3-amino-3-iminopropyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 79155482
3-[cyclobutylmethyl(propan-2-yl)amino]propanimidamide
CID 65457368
3-[3-phenoxypropyl(propan-2-yl)amino]propanimidamide
CID 62937826
4-(4-propylpiperazin-1-yl)butanimidamide
CID 24694384
N-(3-amino-3-iminopropyl)-3-methyl-N-propan-2-ylpiperidine-1-carboxamide
CID 79162504
3-[3-morpholin-4-ylpropyl(propan-2-yl)amino]propanoic acid
CID 82328609
3-(4-methylpiperazin-1-yl)propanimidamide
CID 24709973
N-(3-amino-3-iminopropyl)-N-(2-methylpropyl)azepane-1-carboxamide
CID 79151692
4-(4-ethyl-3-methylpiperazin-1-yl)butanimidamide
CID 63608845
3-[(4-chlorophenyl)methyl-propan-2-ylamino]propanimidamide
CID 54996572
3-[2-methylpropyl(pentan-3-yl)amino]propanimidamide
CID 79484293

Frequently Asked Questions

What is the IUPAC name of 3-[propan-2-yl(3-pyrrolidin-1-ylpropyl)amino]propanimidamide?
The IUPAC name of 3-[propan-2-yl(3-pyrrolidin-1-ylpropyl)amino]propanimidamide (CID 54996674) is 3-[propan-2-yl(3-pyrrolidin-1-ylpropyl)amino]propanimidamide.
What is the SMILES notation for 3-[propan-2-yl(3-pyrrolidin-1-ylpropyl)amino]propanimidamide?
The canonical SMILES for 3-[propan-2-yl(3-pyrrolidin-1-ylpropyl)amino]propanimidamide is [H]/N=C(\N)CCN(CCCN1CCCC1)C(C)C.
What is the InChIKey of 3-[propan-2-yl(3-pyrrolidin-1-ylpropyl)amino]propanimidamide?
The InChIKey is RYWOSXPGSIUOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-12(2)17(11-6-13(14)15)10-5-9-16-7-3-4-8-16/h12H,3-11H2,1-2H3,(H3,14,15).
What are the key properties of 3-[propan-2-yl(3-pyrrolidin-1-ylpropyl)amino]propanimidamide?
3-[propan-2-yl(3-pyrrolidin-1-ylpropyl)amino]propanimidamide has a molecular weight of 240.39 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl(3-pyrrolidin-1-ylpropyl)amino]propanimidamide is sourced from PubChem (CID 54996674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).