N-tert-butyl-2-ethenyl-5-ethoxy-2-methylpentan-1-amine

C14H29NO — CID 102641347

IUPACN-tert-butyl-2-ethenyl-5-ethoxy-2-methylpentan-1-amine
SMILESC=CC(C)(CCCOCC)CNC(C)(C)C
InChIInChI=1S/C14H29NO/c1-7-14(6,10-9-11-16-8-2)12-15-13(3,4)5/h7,15H,1,8-12H2,2-6H3
InChIKeyRXHKOWIJWIFOJJ-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.38
Rot. Bonds8

About N-tert-butyl-2-ethenyl-5-ethoxy-2-methylpentan-1-amine

N-tert-butyl-2-ethenyl-5-ethoxy-2-methylpentan-1-amine (PubChem CID 102641347) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-tert-butyl-2-ethenyl-5-ethoxy-2-methylpentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-ethenyl-5-ethoxy-2-methylpentan-1-amine
PubChem CID102641347
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-tert-butyl-2-ethenyl-5-ethoxy-2-methylpentan-1-amine
SMILESC=CC(C)(CCCOCC)CNC(C)(C)C
InChIInChI=1S/C14H29NO/c1-7-14(6,10-9-11-16-8-2)12-15-13(3,4)5/h7,15H,1,8-12H2,2-6H3
InChIKeyRXHKOWIJWIFOJJ-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethenyl-N,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102640599
2-ethenyl-2-methyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102640930
2-ethenyl-2-methyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102641092
N-[2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine
CID 102641252
N-tert-butyl-2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102641423
2-ethenyl-2-methyl-N-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102641588
2-ethenyl-N-ethyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 113719590
5-but-3-enoxy-N-tert-butylpentan-1-amine
CID 62443238
N-tert-butyl-5-ethoxy-2,2-dimethylpentan-1-amine
CID 65180810
5-pent-4-enoxy-N-propylpentan-1-amine
CID 79113143
N-ethyl-5-pent-4-enoxypentan-1-amine
CID 79113633
N-tert-butyl-5-pent-4-enoxypentan-1-amine
CID 79114426

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-ethenyl-5-ethoxy-2-methylpentan-1-amine?
The IUPAC name of N-tert-butyl-2-ethenyl-5-ethoxy-2-methylpentan-1-amine (CID 102641347) is N-tert-butyl-2-ethenyl-5-ethoxy-2-methylpentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-ethenyl-5-ethoxy-2-methylpentan-1-amine?
The canonical SMILES for N-tert-butyl-2-ethenyl-5-ethoxy-2-methylpentan-1-amine is C=CC(C)(CCCOCC)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-ethenyl-5-ethoxy-2-methylpentan-1-amine?
The InChIKey is RXHKOWIJWIFOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-7-14(6,10-9-11-16-8-2)12-15-13(3,4)5/h7,15H,1,8-12H2,2-6H3.
What are the key properties of N-tert-butyl-2-ethenyl-5-ethoxy-2-methylpentan-1-amine?
N-tert-butyl-2-ethenyl-5-ethoxy-2-methylpentan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-ethenyl-5-ethoxy-2-methylpentan-1-amine is sourced from PubChem (CID 102641347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).