ethane;ethenamine;2-methylpropane;N,3,3-trimethyl-N-propylhex-5-enamide

C20H44N2O — CID 143357551

IUPACethane;ethenamine;2-methylpropane;N,3,3-trimethyl-N-propylhex-5-enamide
SMILESC=CCC(C)(C)CC(=O)N(C)CCC.C=CN.CC.CC(C)C
InChIInChI=1S/C12H23NO.C4H10.C2H5N.C2H6/c1-6-8-12(3,4)10-11(14)13(5)9-7-2;1-4(2)3;1-2-3;1-2/h6H,1,7-10H2,2-5H3;4H,1-3H3;2H,1,3H2;1-2H3
InChIKeyDCRYMKMMYQOVPE-UHFFFAOYSA-N
MW328.59 g/mol
LogP5.62
Rot. Bonds6

About ethane;ethenamine;2-methylpropane;N,3,3-trimethyl-N-propylhex-5-enamide

ethane;ethenamine;2-methylpropane;N,3,3-trimethyl-N-propylhex-5-enamide (PubChem CID 143357551) has the molecular formula C20H44N2O and a molecular weight of 328.59 g/mol. Its IUPAC name is ethane;ethenamine;2-methylpropane;N,3,3-trimethyl-N-propylhex-5-enamide.

Molecular Properties

Compound Nameethane;ethenamine;2-methylpropane;N,3,3-trimethyl-N-propylhex-5-enamide
PubChem CID143357551
Molecular FormulaC20H44N2O
Molecular Weight328.59 g/mol
Exact Mass328.35
IUPAC Nameethane;ethenamine;2-methylpropane;N,3,3-trimethyl-N-propylhex-5-enamide
SMILESC=CCC(C)(C)CC(=O)N(C)CCC.C=CN.CC.CC(C)C
InChIInChI=1S/C12H23NO.C4H10.C2H5N.C2H6/c1-6-8-12(3,4)10-11(14)13(5)9-7-2;1-4(2)3;1-2-3;1-2/h6H,1,7-10H2,2-5H3;4H,1-3H3;2H,1,3H2;1-2H3
InChIKeyDCRYMKMMYQOVPE-UHFFFAOYSA-N
XLogP5.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.59
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,3,3-trimethyl-N-[2-(prop-1-en-2-ylamino)ethyl]hex-5-enamide
CID 143356505
N-(2,2-dimethylpent-4-enyl)-N-propylcarbamoyl chloride
CID 10059217
4,4,7-trimethyl-6-methylideneoct-1-ene
CID 59085404
ethyl (2S)-2-[(1S)-1-hydroxyethyl]-2-methylpent-4-enoate
CID 13299650
ethyl (2R)-2-[(1S)-1-hydroxyethyl]-2-methylpent-4-enoate
CID 13299649
4-amino-N,3,3-trimethyl-N-(2-methylpropyl)butanamide
CID 115157243
diethyl 2-(diethylaminomethyl)-2-prop-2-enylpropanedioate chloride
CID 21204581
ethyl (2S)-2-[(1S)-1-methoxyethyl]-2-methylpent-4-enoate
CID 101058403
1-O-ethyl 3-O-propyl 2,2-bis(prop-2-enyl)propanedioate
CID 59168581
ethyl 2-amino-2-methylpent-4-enoate
CID 10103394
N-methyl-2-(propan-2-ylamino)-N-propylacetamide
CID 60843587
N-[3,3-dimethyl-2-(methylamino)butyl]-N,3,3-trimethyl-5-oxopentanamide;ethane
CID 143105338

Frequently Asked Questions

What is the IUPAC name of ethane;ethenamine;2-methylpropane;N,3,3-trimethyl-N-propylhex-5-enamide?
The IUPAC name of ethane;ethenamine;2-methylpropane;N,3,3-trimethyl-N-propylhex-5-enamide (CID 143357551) is ethane;ethenamine;2-methylpropane;N,3,3-trimethyl-N-propylhex-5-enamide.
What is the SMILES notation for ethane;ethenamine;2-methylpropane;N,3,3-trimethyl-N-propylhex-5-enamide?
The canonical SMILES for ethane;ethenamine;2-methylpropane;N,3,3-trimethyl-N-propylhex-5-enamide is C=CCC(C)(C)CC(=O)N(C)CCC.C=CN.CC.CC(C)C.
What is the InChIKey of ethane;ethenamine;2-methylpropane;N,3,3-trimethyl-N-propylhex-5-enamide?
The InChIKey is DCRYMKMMYQOVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO.C4H10.C2H5N.C2H6/c1-6-8-12(3,4)10-11(14)13(5)9-7-2;1-4(2)3;1-2-3;1-2/h6H,1,7-10H2,2-5H3;4H,1-3H3;2H,1,3H2;1-2H3.
What are the key properties of ethane;ethenamine;2-methylpropane;N,3,3-trimethyl-N-propylhex-5-enamide?
ethane;ethenamine;2-methylpropane;N,3,3-trimethyl-N-propylhex-5-enamide has a molecular weight of 328.59 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethenamine;2-methylpropane;N,3,3-trimethyl-N-propylhex-5-enamide is sourced from PubChem (CID 143357551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).