ethyl 4-[methyl-[3-(4-methylpentan-2-ylideneamino)propyl]amino]butanoate

C16H32N2O2 — CID 135389538

IUPACethyl 4-[methyl-[3-(4-methylpentan-2-ylideneamino)propyl]amino]butanoate
SMILESCCOC(=O)CCCN(C)CCC/N=C(\C)CC(C)C
InChIInChI=1S/C16H32N2O2/c1-6-20-16(19)9-7-11-18(5)12-8-10-17-15(4)13-14(2)3/h14H,6-13H2,1-5H3/b17-15+
InChIKeyOOUOYFMEOQSOCZ-BMRADRMJSA-N
MW284.44 g/mol
LogP3.16
Rot. Bonds11

About ethyl 4-[methyl-[3-(4-methylpentan-2-ylideneamino)propyl]amino]butanoate

ethyl 4-[methyl-[3-(4-methylpentan-2-ylideneamino)propyl]amino]butanoate (PubChem CID 135389538) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is ethyl 4-[methyl-[3-(4-methylpentan-2-ylideneamino)propyl]amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[methyl-[3-(4-methylpentan-2-ylideneamino)propyl]amino]butanoate
PubChem CID135389538
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nameethyl 4-[methyl-[3-(4-methylpentan-2-ylideneamino)propyl]amino]butanoate
SMILESCCOC(=O)CCCN(C)CCC/N=C(\C)CC(C)C
InChIInChI=1S/C16H32N2O2/c1-6-20-16(19)9-7-11-18(5)12-8-10-17-15(4)13-14(2)3/h14H,6-13H2,1-5H3/b17-15+
InChIKeyOOUOYFMEOQSOCZ-BMRADRMJSA-N
XLogP3.16
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-(4-methylpentan-2-ylideneamino)-N-[3-(4-methylpentan-2-ylideneamino)propyl]propan-1-amine
CID 167613512
ethyl 4-[methyl(propyl)amino]butanoate
CID 164991829
6-[3-[bis[2-(4-methylpentan-2-ylideneamino)ethyl]amino]propanoyloxy]hexyl 3-[bis[2-(4-methylpentan-2-ylideneamino)ethyl]amino]propanoate
CID 18715962
4-methyl-N-[4-(4-methylpentan-2-ylideneamino)butyl]pentan-2-imine
CID 71352712
ethyl 3-[3-hydroxypropyl(methyl)amino]propanoate
CID 62012804
ethyl 5-[methyl(oxido)amino]pentanoate
CID 163754429
diethyl hexanedioate
CID 160747628
ethyl 3-[3-ethoxypropyl(methyl)amino]propanoate
CID 65180568
ethyl 3-[hydroxy(methyl)amino]butanoate
CID 131856293
ethyl 4-[[amino-(3-methylbutylamino)methylidene]amino]butanoate
CID 111025589
ethyl 7-(dimethylamino)heptanoate
CID 170069476
bismuthane;ethyl 6-methylheptanoate
CID 175540267

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[methyl-[3-(4-methylpentan-2-ylideneamino)propyl]amino]butanoate?
The IUPAC name of ethyl 4-[methyl-[3-(4-methylpentan-2-ylideneamino)propyl]amino]butanoate (CID 135389538) is ethyl 4-[methyl-[3-(4-methylpentan-2-ylideneamino)propyl]amino]butanoate.
What is the SMILES notation for ethyl 4-[methyl-[3-(4-methylpentan-2-ylideneamino)propyl]amino]butanoate?
The canonical SMILES for ethyl 4-[methyl-[3-(4-methylpentan-2-ylideneamino)propyl]amino]butanoate is CCOC(=O)CCCN(C)CCC/N=C(\C)CC(C)C.
What is the InChIKey of ethyl 4-[methyl-[3-(4-methylpentan-2-ylideneamino)propyl]amino]butanoate?
The InChIKey is OOUOYFMEOQSOCZ-BMRADRMJSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-6-20-16(19)9-7-11-18(5)12-8-10-17-15(4)13-14(2)3/h14H,6-13H2,1-5H3/b17-15+.
What are the key properties of ethyl 4-[methyl-[3-(4-methylpentan-2-ylideneamino)propyl]amino]butanoate?
ethyl 4-[methyl-[3-(4-methylpentan-2-ylideneamino)propyl]amino]butanoate has a molecular weight of 284.44 g/mol, XLogP of 3.16, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[methyl-[3-(4-methylpentan-2-ylideneamino)propyl]amino]butanoate is sourced from PubChem (CID 135389538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).