ethane;molecular hydrogen;3-propan-2-ylidenepyrrol-2-amine

C9H18N2 — CID 144681302

IUPACethane;molecular hydrogen;3-propan-2-ylidenepyrrol-2-amine
SMILESCC.CC(C)=C1C=CN=C1N.[H][H]
InChIInChI=1S/C7H10N2.C2H6.H2/c1-5(2)6-3-4-9-7(6)8;1-2;/h3-4H,1-2H3,(H2,8,9);1-2H3;1H
InChIKeyMUEABBROOYEXFM-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.48
Rot. Bonds

About ethane;molecular hydrogen;3-propan-2-ylidenepyrrol-2-amine

ethane;molecular hydrogen;3-propan-2-ylidenepyrrol-2-amine (PubChem CID 144681302) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is ethane;molecular hydrogen;3-propan-2-ylidenepyrrol-2-amine.

Molecular Properties

Compound Nameethane;molecular hydrogen;3-propan-2-ylidenepyrrol-2-amine
PubChem CID144681302
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Nameethane;molecular hydrogen;3-propan-2-ylidenepyrrol-2-amine
SMILESCC.CC(C)=C1C=CN=C1N.[H][H]
InChIInChI=1S/C7H10N2.C2H6.H2/c1-5(2)6-3-4-9-7(6)8;1-2;/h3-4H,1-2H3,(H2,8,9);1-2H3;1H
InChIKeyMUEABBROOYEXFM-UHFFFAOYSA-N
XLogP2.48
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3E)-N'-ethenyl-3-fluoro-2-propan-2-ylidenehexa-3,5-dienimidamide
CID 142470331
N'-ethenyl-5-fluoro-2-methyl-3-methylidenecyclopenta-1,4-diene-1-carboximidamide
CID 142470342
(Z)-N'-ethenyl-2-[(E)-1-fluoroprop-1-enyl]-3-methylpent-2-enimidamide
CID 170194613
N-(4-methyl-3H-pyridin-3-id-2-yl)propan-1-imine;tungsten(2+)
CID 59659044
N-[(3Z)-3-[(Z)-but-2-enylidene]pyrrol-2-yl]hydroxylamine
CID 89652485
2,3-dimethyl-N'-(2-methylbut-1-enyl)but-2-enimidamide
CID 91599033
(3Z)-3-[(Z)-2-methylbut-2-enylidene]pyrrol-2-amine
CID 118474874
(Z)-5-methyl-N'-[(E)-pent-1-enyl]-2-propan-2-ylidenehex-3-enimidamide
CID 126593027
N'-ethenyl-2-methyl-3-methylidenecyclopenta-1,4-diene-1-carboximidamide
CID 126593325
N-ethenyl-3-propan-2-ylidenepyrrol-2-amine
CID 129157578
(Z,2E)-N'-methyl-2-[(methylideneamino)methylidene]pent-3-enimidamide
CID 134224060
(2E)-2-ethenyl-N'-methylpenta-2,4-dienimidamide
CID 135157386

Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;3-propan-2-ylidenepyrrol-2-amine?
The IUPAC name of ethane;molecular hydrogen;3-propan-2-ylidenepyrrol-2-amine (CID 144681302) is ethane;molecular hydrogen;3-propan-2-ylidenepyrrol-2-amine.
What is the SMILES notation for ethane;molecular hydrogen;3-propan-2-ylidenepyrrol-2-amine?
The canonical SMILES for ethane;molecular hydrogen;3-propan-2-ylidenepyrrol-2-amine is CC.CC(C)=C1C=CN=C1N.[H][H].
What is the InChIKey of ethane;molecular hydrogen;3-propan-2-ylidenepyrrol-2-amine?
The InChIKey is MUEABBROOYEXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.C2H6.H2/c1-5(2)6-3-4-9-7(6)8;1-2;/h3-4H,1-2H3,(H2,8,9);1-2H3;1H.
What are the key properties of ethane;molecular hydrogen;3-propan-2-ylidenepyrrol-2-amine?
ethane;molecular hydrogen;3-propan-2-ylidenepyrrol-2-amine has a molecular weight of 154.26 g/mol, XLogP of 2.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;3-propan-2-ylidenepyrrol-2-amine is sourced from PubChem (CID 144681302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).