N,N-bis(ethylamino)-2-methylnon-2-enamide

C14H29N3O — CID 141225498

IUPACN,N-bis(ethylamino)-2-methylnon-2-enamide
SMILESCCCCCCC=C(C)C(=O)N(NCC)NCC
InChIInChI=1S/C14H29N3O/c1-5-8-9-10-11-12-13(4)14(18)17(15-6-2)16-7-3/h12,15-16H,5-11H2,1-4H3
InChIKeyOBVSQPGBSJKLAP-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.78
Rot. Bonds10

About N,N-bis(ethylamino)-2-methylnon-2-enamide

N,N-bis(ethylamino)-2-methylnon-2-enamide (PubChem CID 141225498) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N,N-bis(ethylamino)-2-methylnon-2-enamide.

Molecular Properties

Compound NameN,N-bis(ethylamino)-2-methylnon-2-enamide
PubChem CID141225498
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN,N-bis(ethylamino)-2-methylnon-2-enamide
SMILESCCCCCCC=C(C)C(=O)N(NCC)NCC
InChIInChI=1S/C14H29N3O/c1-5-8-9-10-11-12-13(4)14(18)17(15-6-2)16-7-3/h12,15-16H,5-11H2,1-4H3
InChIKeyOBVSQPGBSJKLAP-UHFFFAOYSA-N
XLogP2.78
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-ethyl-2-methylnon-2-enamide
CID 87136870
(Z)-2-methylnon-2-enoic acid
CID 19098031
(E)-2-methylnonacos-2-enoic acid
CID 87108662
2-methylhentriacont-2-enoic acid
CID 141160211
(Z)-3-methylnon-3-en-2-one
CID 98567788
N,2-dimethylundec-2-enamide
CID 4562078
(E)-2-methylhexadec-2-enamide
CID 87240184
2-methylnonacos-2-enamide
CID 141002865
2-methylheptadec-2-enoic acid;hydrofluoride
CID 174883773
2-methyldodec-2-enoyl chloride
CID 72833281
2-methylpentadec-2-enethioic S-acid
CID 87863769
2-methylpentadec-2-enoyl 2-methylhenicos-2-enoate
CID 173367068

Frequently Asked Questions

What is the IUPAC name of N,N-bis(ethylamino)-2-methylnon-2-enamide?
The IUPAC name of N,N-bis(ethylamino)-2-methylnon-2-enamide (CID 141225498) is N,N-bis(ethylamino)-2-methylnon-2-enamide.
What is the SMILES notation for N,N-bis(ethylamino)-2-methylnon-2-enamide?
The canonical SMILES for N,N-bis(ethylamino)-2-methylnon-2-enamide is CCCCCCC=C(C)C(=O)N(NCC)NCC.
What is the InChIKey of N,N-bis(ethylamino)-2-methylnon-2-enamide?
The InChIKey is OBVSQPGBSJKLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-5-8-9-10-11-12-13(4)14(18)17(15-6-2)16-7-3/h12,15-16H,5-11H2,1-4H3.
What are the key properties of N,N-bis(ethylamino)-2-methylnon-2-enamide?
N,N-bis(ethylamino)-2-methylnon-2-enamide has a molecular weight of 255.41 g/mol, XLogP of 2.78, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(ethylamino)-2-methylnon-2-enamide is sourced from PubChem (CID 141225498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).