(Z)-4-methyl-N-(2-propan-2-yloxyprop-2-enyl)pent-2-en-3-amine

C12H23NO — CID 167094242

IUPAC(Z)-4-methyl-N-(2-propan-2-yloxyprop-2-enyl)pent-2-en-3-amine
SMILESC=C(CN/C(=C\C)C(C)C)OC(C)C
InChIInChI=1S/C12H23NO/c1-7-12(9(2)3)13-8-11(6)14-10(4)5/h7,9-10,13H,6,8H2,1-5H3/b12-7-
InChIKeyXBDVHSGPKGCUFN-GHXNOFRVSA-N
MW197.32 g/mol
LogP3.07
Rot. Bonds6

About (Z)-4-methyl-N-(2-propan-2-yloxyprop-2-enyl)pent-2-en-3-amine

(Z)-4-methyl-N-(2-propan-2-yloxyprop-2-enyl)pent-2-en-3-amine (PubChem CID 167094242) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (Z)-4-methyl-N-(2-propan-2-yloxyprop-2-enyl)pent-2-en-3-amine.

Molecular Properties

Compound Name(Z)-4-methyl-N-(2-propan-2-yloxyprop-2-enyl)pent-2-en-3-amine
PubChem CID167094242
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(Z)-4-methyl-N-(2-propan-2-yloxyprop-2-enyl)pent-2-en-3-amine
SMILESC=C(CN/C(=C\C)C(C)C)OC(C)C
InChIInChI=1S/C12H23NO/c1-7-12(9(2)3)13-8-11(6)14-10(4)5/h7,9-10,13H,6,8H2,1-5H3/b12-7-
InChIKeyXBDVHSGPKGCUFN-GHXNOFRVSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-methyl-N-(2-propan-2-yloxyprop-2-enyl)pent-2-en-3-amine?
The IUPAC name of (Z)-4-methyl-N-(2-propan-2-yloxyprop-2-enyl)pent-2-en-3-amine (CID 167094242) is (Z)-4-methyl-N-(2-propan-2-yloxyprop-2-enyl)pent-2-en-3-amine.
What is the SMILES notation for (Z)-4-methyl-N-(2-propan-2-yloxyprop-2-enyl)pent-2-en-3-amine?
The canonical SMILES for (Z)-4-methyl-N-(2-propan-2-yloxyprop-2-enyl)pent-2-en-3-amine is C=C(CN/C(=C\C)C(C)C)OC(C)C.
What is the InChIKey of (Z)-4-methyl-N-(2-propan-2-yloxyprop-2-enyl)pent-2-en-3-amine?
The InChIKey is XBDVHSGPKGCUFN-GHXNOFRVSA-N. The full InChI is InChI=1S/C12H23NO/c1-7-12(9(2)3)13-8-11(6)14-10(4)5/h7,9-10,13H,6,8H2,1-5H3/b12-7-.
What are the key properties of (Z)-4-methyl-N-(2-propan-2-yloxyprop-2-enyl)pent-2-en-3-amine?
(Z)-4-methyl-N-(2-propan-2-yloxyprop-2-enyl)pent-2-en-3-amine has a molecular weight of 197.32 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methyl-N-(2-propan-2-yloxyprop-2-enyl)pent-2-en-3-amine is sourced from PubChem (CID 167094242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).