ethane;(Z)-2-(methylideneamino)prop-1-en-1-amine

C6H14N2 — CID 142804445

IUPACethane;(Z)-2-(methylideneamino)prop-1-en-1-amine
SMILESC=N/C(C)=C\N.CC
InChIInChI=1S/C4H8N2.C2H6/c1-4(3-5)6-2;1-2/h3H,2,5H2,1H3;1-2H3/b4-3-;
InChIKeyDVEWIOUYSKJLEL-LNKPDPKZSA-N
MW114.19 g/mol
LogP1.53
Rot. Bonds1

About ethane;(Z)-2-(methylideneamino)prop-1-en-1-amine

ethane;(Z)-2-(methylideneamino)prop-1-en-1-amine (PubChem CID 142804445) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is ethane;(Z)-2-(methylideneamino)prop-1-en-1-amine.

Molecular Properties

Compound Nameethane;(Z)-2-(methylideneamino)prop-1-en-1-amine
PubChem CID142804445
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Nameethane;(Z)-2-(methylideneamino)prop-1-en-1-amine
SMILESC=N/C(C)=C\N.CC
InChIInChI=1S/C4H8N2.C2H6/c1-4(3-5)6-2;1-2/h3H,2,5H2,1H3;1-2H3/b4-3-;
InChIKeyDVEWIOUYSKJLEL-LNKPDPKZSA-N
XLogP1.53
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-but-2-en-2-yl]methanimine;ethane
CID 145473397
(4Z)-2-methyl-5-(methylideneamino)hexa-2,4-dien-3-amine
CID 142112533
N-[(Z)-1-[amino(methyl)amino]prop-1-en-2-yl]methanimine
CID 90369842
(1E,3Z)-1-chloro-4-(methylideneamino)penta-1,3-dien-1-amine
CID 89064716
N-[(E)-pent-2-en-2-yl]methanimine
CID 154559491
2-chloroprop-1-en-1-amine
CID 151379752
CID 174135156
CID 174135156
N-[(2Z)-penta-2,4-dien-2-yl]methanimine;propane
CID 171626628
ethane;N'-prop-1-en-2-ylmethanimidamide
CID 164916577
N-[(2Z,4E)-5-methoxyhexa-2,4-dien-2-yl]methanimine
CID 167253000
N-[(2Z)-4-methoxypenta-2,4-dien-2-yl]methanimine
CID 156714992
ethane;N-methylmethanimine;N-prop-1-en-2-ylmethanimine
CID 143372757

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-2-(methylideneamino)prop-1-en-1-amine?
The IUPAC name of ethane;(Z)-2-(methylideneamino)prop-1-en-1-amine (CID 142804445) is ethane;(Z)-2-(methylideneamino)prop-1-en-1-amine.
What is the SMILES notation for ethane;(Z)-2-(methylideneamino)prop-1-en-1-amine?
The canonical SMILES for ethane;(Z)-2-(methylideneamino)prop-1-en-1-amine is C=N/C(C)=C\N.CC.
What is the InChIKey of ethane;(Z)-2-(methylideneamino)prop-1-en-1-amine?
The InChIKey is DVEWIOUYSKJLEL-LNKPDPKZSA-N. The full InChI is InChI=1S/C4H8N2.C2H6/c1-4(3-5)6-2;1-2/h3H,2,5H2,1H3;1-2H3/b4-3-;.
What are the key properties of ethane;(Z)-2-(methylideneamino)prop-1-en-1-amine?
ethane;(Z)-2-(methylideneamino)prop-1-en-1-amine has a molecular weight of 114.19 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-2-(methylideneamino)prop-1-en-1-amine is sourced from PubChem (CID 142804445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).