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

C13H27NO — CID 102641402

IUPACN-tert-butyl-2-ethenyl-5-methoxy-2-methylpentan-1-amine
SMILESC=CC(C)(CCCOC)CNC(C)(C)C
InChIInChI=1S/C13H27NO/c1-7-13(5,9-8-10-15-6)11-14-12(2,3)4/h7,14H,1,8-11H2,2-6H3
InChIKeyLENREPDHIKSMDU-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.99
Rot. Bonds7

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

N-tert-butyl-2-ethenyl-5-methoxy-2-methylpentan-1-amine (PubChem CID 102641402) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-tert-butyl-2-ethenyl-5-methoxy-2-methylpentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-ethenyl-5-methoxy-2-methylpentan-1-amine
PubChem CID102641402
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-tert-butyl-2-ethenyl-5-methoxy-2-methylpentan-1-amine
SMILESC=CC(C)(CCCOC)CNC(C)(C)C
InChIInChI=1S/C13H27NO/c1-7-13(5,9-8-10-15-6)11-14-12(2,3)4/h7,14H,1,8-11H2,2-6H3
InChIKeyLENREPDHIKSMDU-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.99
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-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-methoxy-2,2,4,4-tetramethyl-N-pent-4-enylhexan-1-amine
CID 139356793
N-(5-methoxypentyl)hex-5-en-1-amine
CID 153618215
5-but-3-enoxy-N-tert-butylpentan-1-amine
CID 62443238
N-tert-butyl-5-pent-4-enoxypentan-1-amine
CID 79114426
2-ethenyl-5-ethoxy-N,2-dimethylpentan-1-amine
CID 102640518
2-ethenyl-5-methoxy-N,2-dimethylpentan-1-amine
CID 102640576

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-ethenyl-5-methoxy-2-methylpentan-1-amine?
The IUPAC name of N-tert-butyl-2-ethenyl-5-methoxy-2-methylpentan-1-amine (CID 102641402) is N-tert-butyl-2-ethenyl-5-methoxy-2-methylpentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-ethenyl-5-methoxy-2-methylpentan-1-amine?
The canonical SMILES for N-tert-butyl-2-ethenyl-5-methoxy-2-methylpentan-1-amine is C=CC(C)(CCCOC)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-ethenyl-5-methoxy-2-methylpentan-1-amine?
The InChIKey is LENREPDHIKSMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-7-13(5,9-8-10-15-6)11-14-12(2,3)4/h7,14H,1,8-11H2,2-6H3.
What are the key properties of N-tert-butyl-2-ethenyl-5-methoxy-2-methylpentan-1-amine?
N-tert-butyl-2-ethenyl-5-methoxy-2-methylpentan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.99, 7 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-methoxy-2-methylpentan-1-amine is sourced from PubChem (CID 102641402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).