2-[[(Z)-1-butoxyhex-3-enyl]amino]-N,N-dimethylacetamide

C14H28N2O2 — CID 155223978

IUPAC2-[[(Z)-1-butoxyhex-3-enyl]amino]-N,N-dimethylacetamide
SMILESCC/C=C\CC(NCC(=O)N(C)C)OCCCC
InChIInChI=1S/C14H28N2O2/c1-5-7-9-10-13(18-11-8-6-2)15-12-14(17)16(3)4/h7,9,13,15H,5-6,8,10-12H2,1-4H3/b9-7-
InChIKeyMVZXSUWHMAXGLN-CLFYSBASSA-N
MW256.39 g/mol
LogP2.16
Rot. Bonds10

About 2-[[(Z)-1-butoxyhex-3-enyl]amino]-N,N-dimethylacetamide

2-[[(Z)-1-butoxyhex-3-enyl]amino]-N,N-dimethylacetamide (PubChem CID 155223978) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[[(Z)-1-butoxyhex-3-enyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(Z)-1-butoxyhex-3-enyl]amino]-N,N-dimethylacetamide
PubChem CID155223978
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-[[(Z)-1-butoxyhex-3-enyl]amino]-N,N-dimethylacetamide
SMILESCC/C=C\CC(NCC(=O)N(C)C)OCCCC
InChIInChI=1S/C14H28N2O2/c1-5-7-9-10-13(18-11-8-6-2)15-12-14(17)16(3)4/h7,9,13,15H,5-6,8,10-12H2,1-4H3/b9-7-
InChIKeyMVZXSUWHMAXGLN-CLFYSBASSA-N
XLogP2.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(Z)-1-butoxyhex-3-enyl]-N-[2-(dimethylamino)-2-oxoethyl]carbamate
CID 155223977
2-(heptan-4-ylamino)-N,N-dimethylacetamide
CID 43310850
N-butyl-2-[[2-(dimethylamino)-2-oxoethyl]amino]propanamide
CID 43243844
N,N-dimethylnon-6-enamide
CID 76781952
N,N-dimethyl-2-(2-methylpentan-3-ylamino)acetamide
CID 43775382
N,N-dimethyl-2-[[(2R)-pentan-2-yl]amino]acetamide
CID 28569844
N,N-dimethyl-2-(4-methylpentan-2-ylamino)acetamide
CID 43310901
3-(1-methoxyhexan-2-ylamino)-N,N-dimethylpropanamide
CID 115715312
N,N-dimethyldec-9-enamide;(E)-N,N-dimethyldodec-9-enamide;(E)-N,N-dimethyltetradec-9-enamide
CID 159955507
(5S,6E,8Z,10E,12R,14Z)-5,12-dihydroxy-N,N-dimethylicosa-6,8,10,14-tetraenamide
CID 35024613
(E)-N,N-dimethyldec-4-enamide
CID 13308680
2-(heptylamino)-N,N-dimethylacetamide
CID 43214901

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-1-butoxyhex-3-enyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(Z)-1-butoxyhex-3-enyl]amino]-N,N-dimethylacetamide (CID 155223978) is 2-[[(Z)-1-butoxyhex-3-enyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(Z)-1-butoxyhex-3-enyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(Z)-1-butoxyhex-3-enyl]amino]-N,N-dimethylacetamide is CC/C=C\CC(NCC(=O)N(C)C)OCCCC.
What is the InChIKey of 2-[[(Z)-1-butoxyhex-3-enyl]amino]-N,N-dimethylacetamide?
The InChIKey is MVZXSUWHMAXGLN-CLFYSBASSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-5-7-9-10-13(18-11-8-6-2)15-12-14(17)16(3)4/h7,9,13,15H,5-6,8,10-12H2,1-4H3/b9-7-.
What are the key properties of 2-[[(Z)-1-butoxyhex-3-enyl]amino]-N,N-dimethylacetamide?
2-[[(Z)-1-butoxyhex-3-enyl]amino]-N,N-dimethylacetamide has a molecular weight of 256.39 g/mol, XLogP of 2.16, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-1-butoxyhex-3-enyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 155223978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).