ethane;3H-pyrrol-2-amine

C6H12N2 — CID 91616708

IUPACethane;3H-pyrrol-2-amine
SMILESCC.NC1=NC=CC1
InChIInChI=1S/C4H6N2.C2H6/c5-4-2-1-3-6-4;1-2/h1,3H,2H2,(H2,5,6);1-2H3
InChIKeyNKCZHSOEFHPEOU-UHFFFAOYSA-N
MW112.18 g/mol
LogP1.29
Rot. Bonds

About ethane;3H-pyrrol-2-amine

ethane;3H-pyrrol-2-amine (PubChem CID 91616708) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is ethane;3H-pyrrol-2-amine.

Molecular Properties

Compound Nameethane;3H-pyrrol-2-amine
PubChem CID91616708
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Nameethane;3H-pyrrol-2-amine
SMILESCC.NC1=NC=CC1
InChIInChI=1S/C4H6N2.C2H6/c5-4-2-1-3-6-4;1-2/h1,3H,2H2,(H2,5,6);1-2H3
InChIKeyNKCZHSOEFHPEOU-UHFFFAOYSA-N
XLogP1.29
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Dihydropyridin-2(1h)-imine
CID 20447325
3H-pyrrol-2-amine
CID 18685835
2-[(E)-but-1-enyl]guanidine
CID 19100513
3,4-Dihydropyridin-2-amine;ethane
CID 53749850
2-But-1-enylguanidine
CID 53992378
N'-[(E)-pent-1-enyl]ethanimidamide
CID 57091878
N-(3H-pyrrol-2-yl)methanimine
CID 57894784
4-methyl-3H-pyrrol-2-amine
CID 57927514
3,3-Dimethylpyrrol-2-amine
CID 69479039
N'-prop-2-enylbut-3-enimidamide
CID 87174806
N'-[(1Z)-buta-1,3-dienyl]ethanimidamide
CID 88888743
N'-[(1Z)-2-methylbuta-1,3-dienyl]ethanimidamide
CID 88917570

Frequently Asked Questions

What is the IUPAC name of ethane;3H-pyrrol-2-amine?
The IUPAC name of ethane;3H-pyrrol-2-amine (CID 91616708) is ethane;3H-pyrrol-2-amine.
What is the SMILES notation for ethane;3H-pyrrol-2-amine?
The canonical SMILES for ethane;3H-pyrrol-2-amine is CC.NC1=NC=CC1.
What is the InChIKey of ethane;3H-pyrrol-2-amine?
The InChIKey is NKCZHSOEFHPEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2.C2H6/c5-4-2-1-3-6-4;1-2/h1,3H,2H2,(H2,5,6);1-2H3.
What are the key properties of ethane;3H-pyrrol-2-amine?
ethane;3H-pyrrol-2-amine has a molecular weight of 112.18 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3H-pyrrol-2-amine is sourced from PubChem (CID 91616708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).