dipyrrolidin-1-ylmethylidenecyanamide

C10H16N4 — CID 101164131

IUPACdipyrrolidin-1-ylmethylidenecyanamide
SMILESN#CN=C(N1CCCC1)N1CCCC1
InChIInChI=1S/C10H16N4/c11-9-12-10(13-5-1-2-6-13)14-7-3-4-8-14/h1-8H2
InChIKeyRTESDNHGBVQTAG-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.02
Rot. Bonds

About dipyrrolidin-1-ylmethylidenecyanamide

dipyrrolidin-1-ylmethylidenecyanamide (PubChem CID 101164131) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is dipyrrolidin-1-ylmethylidenecyanamide.

Molecular Properties

Compound Namedipyrrolidin-1-ylmethylidenecyanamide
PubChem CID101164131
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Namedipyrrolidin-1-ylmethylidenecyanamide
SMILESN#CN=C(N1CCCC1)N1CCCC1
InChIInChI=1S/C10H16N4/c11-9-12-10(13-5-1-2-6-13)14-7-3-4-8-14/h1-8H2
InChIKeyRTESDNHGBVQTAG-UHFFFAOYSA-N
XLogP1.02
TPSA42.63 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(azetidin-1-yl)-N'-cyanopyrrolidine-1-carboximidamide
CID 91801508
N-(azetidin-1-yl)-N'-cyanopiperidine-1-carboximidamide
CID 91345657
[1-(azetidin-1-yl)-2,2-dimethylpropylidene]cyanamide
CID 90322153
2-pyrrolidin-1-ylprop-2-enenitrile
CID 14592812
2-cyano-1-pyrrolidin-1-ylguanidine
CID 174836086
3-(N'-cyanocarbamimidoyl)-1,3-diazinane-1-carboxamide
CID 158720899
N-methylpyrrolidine-1-carboximidoyl cyanide
CID 123728316
N-tert-butyl-1,1-dipyrrolidin-1-ylmethanimine
CID 165163690
1,1-bis(azetidin-1-yl)-N-methylmethanimine
CID 166858642
(2-cyano-3-phenyl-1-piperidin-1-ylpropylidene)cyanamide
CID 21427143
methyl N-cyano-4-(2-hydroxyethyl)-1,4-diazepane-1-carboximidothioate
CID 107223071
methyl N-cyano-4-methyl-3-oxo-1,4-diazepane-1-carboximidothioate
CID 102889038

Frequently Asked Questions

What is the IUPAC name of dipyrrolidin-1-ylmethylidenecyanamide?
The IUPAC name of dipyrrolidin-1-ylmethylidenecyanamide (CID 101164131) is dipyrrolidin-1-ylmethylidenecyanamide.
What is the SMILES notation for dipyrrolidin-1-ylmethylidenecyanamide?
The canonical SMILES for dipyrrolidin-1-ylmethylidenecyanamide is N#CN=C(N1CCCC1)N1CCCC1.
What is the InChIKey of dipyrrolidin-1-ylmethylidenecyanamide?
The InChIKey is RTESDNHGBVQTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c11-9-12-10(13-5-1-2-6-13)14-7-3-4-8-14/h1-8H2.
What are the key properties of dipyrrolidin-1-ylmethylidenecyanamide?
dipyrrolidin-1-ylmethylidenecyanamide has a molecular weight of 192.27 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dipyrrolidin-1-ylmethylidenecyanamide is sourced from PubChem (CID 101164131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).