(Z)-3-ethyl-7-methyl-6-(propan-2-ylamino)oct-5-en-4-one

C14H27NO — CID 170678479

IUPAC(Z)-3-ethyl-7-methyl-6-(propan-2-ylamino)oct-5-en-4-one
SMILESCCC(CC)C(=O)/C=C(\NC(C)C)C(C)C
InChIInChI=1S/C14H27NO/c1-7-12(8-2)14(16)9-13(10(3)4)15-11(5)6/h9-12,15H,7-8H2,1-6H3/b13-9-
InChIKeyKDPUDNPUWUAGHL-LCYFTJDESA-N
MW225.38 g/mol
LogP3.53
Rot. Bonds7

About (Z)-3-ethyl-7-methyl-6-(propan-2-ylamino)oct-5-en-4-one

(Z)-3-ethyl-7-methyl-6-(propan-2-ylamino)oct-5-en-4-one (PubChem CID 170678479) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (Z)-3-ethyl-7-methyl-6-(propan-2-ylamino)oct-5-en-4-one.

Molecular Properties

Compound Name(Z)-3-ethyl-7-methyl-6-(propan-2-ylamino)oct-5-en-4-one
PubChem CID170678479
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(Z)-3-ethyl-7-methyl-6-(propan-2-ylamino)oct-5-en-4-one
SMILESCCC(CC)C(=O)/C=C(\NC(C)C)C(C)C
InChIInChI=1S/C14H27NO/c1-7-12(8-2)14(16)9-13(10(3)4)15-11(5)6/h9-12,15H,7-8H2,1-6H3/b13-9-
InChIKeyKDPUDNPUWUAGHL-LCYFTJDESA-N
XLogP3.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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3-ethyl-2-oxopentanal
CID 54305877
3-ethyl-8-methyldec-5-ene-4,7-dione
CID 173493765
2-methyl-4-(propan-2-ylcarbamoyl)hexanoic acid
CID 154824820
N-propan-2-ylpropanamide;dihydrochloride
CID 172679019
3,7-diethyl-4-hydroxy-6-oxonon-4-enenitrile
CID 174020186
(Z)-7-ethyl-6-methoxy-2-methyl-3-propan-2-ylnon-5-en-4-one
CID 118319232
2-methyl-N-propan-2-ylpentanamide
CID 4628268
3-ethyl-6-methyloct-6-en-4-one
CID 173461598
5-methyl-2-(3-methylbutyl)-N-propan-2-ylhexanamide
CID 135274634
3-ethyl-1-(propan-2-ylamino)pentan-2-one
CID 116554985

Frequently Asked Questions

What is the IUPAC name of (Z)-3-ethyl-7-methyl-6-(propan-2-ylamino)oct-5-en-4-one?
The IUPAC name of (Z)-3-ethyl-7-methyl-6-(propan-2-ylamino)oct-5-en-4-one (CID 170678479) is (Z)-3-ethyl-7-methyl-6-(propan-2-ylamino)oct-5-en-4-one.
What is the SMILES notation for (Z)-3-ethyl-7-methyl-6-(propan-2-ylamino)oct-5-en-4-one?
The canonical SMILES for (Z)-3-ethyl-7-methyl-6-(propan-2-ylamino)oct-5-en-4-one is CCC(CC)C(=O)/C=C(\NC(C)C)C(C)C.
What is the InChIKey of (Z)-3-ethyl-7-methyl-6-(propan-2-ylamino)oct-5-en-4-one?
The InChIKey is KDPUDNPUWUAGHL-LCYFTJDESA-N. The full InChI is InChI=1S/C14H27NO/c1-7-12(8-2)14(16)9-13(10(3)4)15-11(5)6/h9-12,15H,7-8H2,1-6H3/b13-9-.
What are the key properties of (Z)-3-ethyl-7-methyl-6-(propan-2-ylamino)oct-5-en-4-one?
(Z)-3-ethyl-7-methyl-6-(propan-2-ylamino)oct-5-en-4-one has a molecular weight of 225.38 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethyl-7-methyl-6-(propan-2-ylamino)oct-5-en-4-one is sourced from PubChem (CID 170678479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).