2-cyclopropyl-2-(cyclopropylamino)acetonitrile;N,1-dicyclopropylethane-1,2-diamine

C16H28N4 — CID 158517031

IUPAC2-cyclopropyl-2-(cyclopropylamino)acetonitrile;N,1-dicyclopropylethane-1,2-diamine
SMILESN#CC(NC1CC1)C1CC1.NCC(NC1CC1)C1CC1
InChIInChI=1S/C8H16N2.C8H12N2/c2*9-5-8(6-1-2-6)10-7-3-4-7/h6-8,10H,1-5,9H2;6-8,10H,1-4H2
InChIKeyHLTGGMWTCBJZED-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.52
Rot. Bonds7

About 2-cyclopropyl-2-(cyclopropylamino)acetonitrile;N,1-dicyclopropylethane-1,2-diamine

2-cyclopropyl-2-(cyclopropylamino)acetonitrile;N,1-dicyclopropylethane-1,2-diamine (PubChem CID 158517031) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)acetonitrile;N,1-dicyclopropylethane-1,2-diamine.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)acetonitrile;N,1-dicyclopropylethane-1,2-diamine
PubChem CID158517031
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)acetonitrile;N,1-dicyclopropylethane-1,2-diamine
SMILESN#CC(NC1CC1)C1CC1.NCC(NC1CC1)C1CC1
InChIInChI=1S/C8H16N2.C8H12N2/c2*9-5-8(6-1-2-6)10-7-3-4-7/h6-8,10H,1-5,9H2;6-8,10H,1-4H2
InChIKeyHLTGGMWTCBJZED-UHFFFAOYSA-N
XLogP1.52
TPSA73.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-(cyclopropylamino)acetic acid;2-cyclopropyl-2-(cyclopropylamino)acetonitrile
CID 161366805
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2-(4-tert-butylcyclohexyl)-2-(cycloheptylamino)acetonitrile
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CID 107132960
N-cycloheptyl-1-(oxolan-3-yl)ethane-1,2-diamine
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CID 61002248
2-cyclopropyl-2-(methylamino)acetonitrile
CID 61309780
1-cyclobutyl-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine
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N-(1-cyclobutylpropyl)cyclopropanamine
CID 83682011
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CID 106737773
2-cyclohex-3-en-1-yl-2-(cyclohexylamino)acetonitrile
CID 60998877
N-(1-cyclopropyl-2-fluoroethyl)cyclohexanamine
CID 83817487

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)acetonitrile;N,1-dicyclopropylethane-1,2-diamine?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)acetonitrile;N,1-dicyclopropylethane-1,2-diamine (CID 158517031) is 2-cyclopropyl-2-(cyclopropylamino)acetonitrile;N,1-dicyclopropylethane-1,2-diamine.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)acetonitrile;N,1-dicyclopropylethane-1,2-diamine?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)acetonitrile;N,1-dicyclopropylethane-1,2-diamine is N#CC(NC1CC1)C1CC1.NCC(NC1CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)acetonitrile;N,1-dicyclopropylethane-1,2-diamine?
The InChIKey is HLTGGMWTCBJZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.C8H12N2/c2*9-5-8(6-1-2-6)10-7-3-4-7/h6-8,10H,1-5,9H2;6-8,10H,1-4H2.
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)acetonitrile;N,1-dicyclopropylethane-1,2-diamine?
2-cyclopropyl-2-(cyclopropylamino)acetonitrile;N,1-dicyclopropylethane-1,2-diamine has a molecular weight of 276.43 g/mol, XLogP of 1.52, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylamino)acetonitrile;N,1-dicyclopropylethane-1,2-diamine is sourced from PubChem (CID 158517031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).