N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-2-propan-2-ylbut-3-en-1-amine

C11H20N2 — CID 142492022

IUPACN-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-2-propan-2-ylbut-3-en-1-amine
SMILESC=CC(CN(C)/C=C\N=C)C(C)C
InChIInChI=1S/C11H20N2/c1-6-11(10(2)3)9-13(5)8-7-12-4/h6-8,10-11H,1,4,9H2,2-3,5H3/b8-7-
InChIKeyDDNNMPOGQMAJFI-FPLPWBNLSA-N
MW180.29 g/mol
LogP2.55
Rot. Bonds6

About N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-2-propan-2-ylbut-3-en-1-amine

N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-2-propan-2-ylbut-3-en-1-amine (PubChem CID 142492022) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-2-propan-2-ylbut-3-en-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-2-propan-2-ylbut-3-en-1-amine
PubChem CID142492022
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-2-propan-2-ylbut-3-en-1-amine
SMILESC=CC(CN(C)/C=C\N=C)C(C)C
InChIInChI=1S/C11H20N2/c1-6-11(10(2)3)9-13(5)8-7-12-4/h6-8,10-11H,1,4,9H2,2-3,5H3/b8-7-
InChIKeyDDNNMPOGQMAJFI-FPLPWBNLSA-N
XLogP2.55
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-2-propan-2-ylbut-3-en-1-amine?
The IUPAC name of N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-2-propan-2-ylbut-3-en-1-amine (CID 142492022) is N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-2-propan-2-ylbut-3-en-1-amine.
What is the SMILES notation for N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-2-propan-2-ylbut-3-en-1-amine?
The canonical SMILES for N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-2-propan-2-ylbut-3-en-1-amine is C=CC(CN(C)/C=C\N=C)C(C)C.
What is the InChIKey of N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-2-propan-2-ylbut-3-en-1-amine?
The InChIKey is DDNNMPOGQMAJFI-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H20N2/c1-6-11(10(2)3)9-13(5)8-7-12-4/h6-8,10-11H,1,4,9H2,2-3,5H3/b8-7-.
What are the key properties of N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-2-propan-2-ylbut-3-en-1-amine?
N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-2-propan-2-ylbut-3-en-1-amine has a molecular weight of 180.29 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-2-propan-2-ylbut-3-en-1-amine is sourced from PubChem (CID 142492022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).