ethane;N-methyl-N-[(Z)-3-methylbut-2-enylideneamino]methanamine

C9H20N2 — CID 143099985

IUPACethane;N-methyl-N-[(Z)-3-methylbut-2-enylideneamino]methanamine
SMILESCC.CC(C)=C/C=N\N(C)C
InChIInChI=1S/C7H14N2.C2H6/c1-7(2)5-6-8-9(3)4;1-2/h5-6H,1-4H3;1-2H3/b8-6-;
InChIKeyRCYWCWUJZBRJAF-PHZXCRFESA-N
MW156.27 g/mol
LogP2.53
Rot. Bonds2

About ethane;N-methyl-N-[(Z)-3-methylbut-2-enylideneamino]methanamine

ethane;N-methyl-N-[(Z)-3-methylbut-2-enylideneamino]methanamine (PubChem CID 143099985) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is ethane;N-methyl-N-[(Z)-3-methylbut-2-enylideneamino]methanamine.

Molecular Properties

Compound Nameethane;N-methyl-N-[(Z)-3-methylbut-2-enylideneamino]methanamine
PubChem CID143099985
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Nameethane;N-methyl-N-[(Z)-3-methylbut-2-enylideneamino]methanamine
SMILESCC.CC(C)=C/C=N\N(C)C
InChIInChI=1S/C7H14N2.C2H6/c1-7(2)5-6-8-9(3)4;1-2/h5-6H,1-4H3;1-2H3/b8-6-;
InChIKeyRCYWCWUJZBRJAF-PHZXCRFESA-N
XLogP2.53
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

But-2-enal dimethylhydrazone
CID 299635
Crotonaldehyde dimethylhydrazone
CID 9601245
Dimethylhydrazone 2-methyl-2-butenylaldehyde
CID 9601577
2-Butenal, dimethylhydrazone
CID 54606927
(E)-2-Butenal N,N-dimethylhydrazone
CID 86594433
Dimethylhydrazone tiglylaldehyde
CID 541781
3-Methyl-2-butenal dimethyl hydrazone
CID 580943
N-[(E)-[(2Z)-2,6-dimethylhepta-2,5-dienylidene]amino]-N-methylmethanamine
CID 134870865
Diethylhydrazone alpha,beta-dimethylacrylaldehyde
CID 547488
2-Butenaldehyde diethylhydrazone
CID 580718
N-butyl-N-(3-methylbut-2-enylideneamino)butan-1-amine
CID 597627
2-Butenal, 2-methyl-, diethylhydrazone
CID 9601692

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-[(Z)-3-methylbut-2-enylideneamino]methanamine?
The IUPAC name of ethane;N-methyl-N-[(Z)-3-methylbut-2-enylideneamino]methanamine (CID 143099985) is ethane;N-methyl-N-[(Z)-3-methylbut-2-enylideneamino]methanamine.
What is the SMILES notation for ethane;N-methyl-N-[(Z)-3-methylbut-2-enylideneamino]methanamine?
The canonical SMILES for ethane;N-methyl-N-[(Z)-3-methylbut-2-enylideneamino]methanamine is CC.CC(C)=C/C=N\N(C)C.
What is the InChIKey of ethane;N-methyl-N-[(Z)-3-methylbut-2-enylideneamino]methanamine?
The InChIKey is RCYWCWUJZBRJAF-PHZXCRFESA-N. The full InChI is InChI=1S/C7H14N2.C2H6/c1-7(2)5-6-8-9(3)4;1-2/h5-6H,1-4H3;1-2H3/b8-6-;.
What are the key properties of ethane;N-methyl-N-[(Z)-3-methylbut-2-enylideneamino]methanamine?
ethane;N-methyl-N-[(Z)-3-methylbut-2-enylideneamino]methanamine has a molecular weight of 156.27 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-[(Z)-3-methylbut-2-enylideneamino]methanamine is sourced from PubChem (CID 143099985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).