(1-propan-2-ylpyrrolidin-3-yl)cyanamide

C8H15N3 — CID 130950441

IUPAC(1-propan-2-ylpyrrolidin-3-yl)cyanamide
SMILESCC(C)N1CCC(NC#N)C1
InChIInChI=1S/C8H15N3/c1-7(2)11-4-3-8(5-11)10-6-9/h7-8,10H,3-5H2,1-2H3
InChIKeyLWDZZVXASODMJZ-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.54
Rot. Bonds2

About (1-propan-2-ylpyrrolidin-3-yl)cyanamide

(1-propan-2-ylpyrrolidin-3-yl)cyanamide (PubChem CID 130950441) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is (1-propan-2-ylpyrrolidin-3-yl)cyanamide.

Molecular Properties

Compound Name(1-propan-2-ylpyrrolidin-3-yl)cyanamide
PubChem CID130950441
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name(1-propan-2-ylpyrrolidin-3-yl)cyanamide
SMILESCC(C)N1CCC(NC#N)C1
InChIInChI=1S/C8H15N3/c1-7(2)11-4-3-8(5-11)10-6-9/h7-8,10H,3-5H2,1-2H3
InChIKeyLWDZZVXASODMJZ-UHFFFAOYSA-N
XLogP0.54
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine
CID 55299463
1-[(1-propan-2-ylpyrrolidin-3-yl)amino]cyclopropane-1-carbonitrile
CID 167501163
(3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine
CID 94057880
N-methyl-1-propan-2-ylpyrrolidin-3-amine;molecular hydrogen
CID 177033452
1-propan-2-yl-N-(trifluoromethyl)pyrrolidin-3-amine
CID 71632965
N-but-3-yn-2-yl-1-propan-2-ylpyrrolidin-3-amine
CID 114415416
2-[(1-propan-2-ylpiperidin-3-yl)amino]acetonitrile
CID 117004759
2-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)amino]butan-1-ol
CID 115689458
N-(1-cyclobutylethyl)-1-propan-2-ylpyrrolidin-3-amine
CID 115717125
1-propan-2-yl-N-(2,2,3,3-tetramethylcyclopropyl)pyrrolidin-3-amine
CID 79352090
N-(2-methylcyclopropyl)-1-propan-2-ylpyrrolidin-3-amine
CID 62396542
N-(3-methyl-2-propan-2-ylbutyl)-1-propan-2-ylpyrrolidin-3-amine
CID 102904528

Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylpyrrolidin-3-yl)cyanamide?
The IUPAC name of (1-propan-2-ylpyrrolidin-3-yl)cyanamide (CID 130950441) is (1-propan-2-ylpyrrolidin-3-yl)cyanamide.
What is the SMILES notation for (1-propan-2-ylpyrrolidin-3-yl)cyanamide?
The canonical SMILES for (1-propan-2-ylpyrrolidin-3-yl)cyanamide is CC(C)N1CCC(NC#N)C1.
What is the InChIKey of (1-propan-2-ylpyrrolidin-3-yl)cyanamide?
The InChIKey is LWDZZVXASODMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-7(2)11-4-3-8(5-11)10-6-9/h7-8,10H,3-5H2,1-2H3.
What are the key properties of (1-propan-2-ylpyrrolidin-3-yl)cyanamide?
(1-propan-2-ylpyrrolidin-3-yl)cyanamide has a molecular weight of 153.23 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylpyrrolidin-3-yl)cyanamide is sourced from PubChem (CID 130950441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).