2-ethenyl-5-ethoxy-2-methyl-N-propan-2-ylpentan-1-amine

C13H27NO — CID 102641018

IUPAC2-ethenyl-5-ethoxy-2-methyl-N-propan-2-ylpentan-1-amine
SMILESC=CC(C)(CCCOCC)CNC(C)C
InChIInChI=1S/C13H27NO/c1-6-13(5,11-14-12(3)4)9-8-10-15-7-2/h6,12,14H,1,7-11H2,2-5H3
InChIKeyWQNXERINSQILJS-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.99
Rot. Bonds9

About 2-ethenyl-5-ethoxy-2-methyl-N-propan-2-ylpentan-1-amine

2-ethenyl-5-ethoxy-2-methyl-N-propan-2-ylpentan-1-amine (PubChem CID 102641018) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-ethenyl-5-ethoxy-2-methyl-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-ethenyl-5-ethoxy-2-methyl-N-propan-2-ylpentan-1-amine
PubChem CID102641018
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-ethenyl-5-ethoxy-2-methyl-N-propan-2-ylpentan-1-amine
SMILESC=CC(C)(CCCOCC)CNC(C)C
InChIInChI=1S/C13H27NO/c1-6-13(5,11-14-12(3)4)9-8-10-15-7-2/h6,12,14H,1,7-11H2,2-5H3
InChIKeyWQNXERINSQILJS-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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-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
N-(2-ethyl-2-methylbut-3-enyl)oxan-4-amine
CID 144399280
5-but-3-enoxy-N-propan-2-ylpentan-1-amine
CID 62443236
5-ethoxy-2,2-dimethyl-N-propan-2-ylpentan-1-amine
CID 65180754
5-pent-4-enoxy-N-propylpentan-1-amine
CID 79113143
N-ethyl-5-pent-4-enoxypentan-1-amine
CID 79113633

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-ethoxy-2-methyl-N-propan-2-ylpentan-1-amine?
The IUPAC name of 2-ethenyl-5-ethoxy-2-methyl-N-propan-2-ylpentan-1-amine (CID 102641018) is 2-ethenyl-5-ethoxy-2-methyl-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-ethenyl-5-ethoxy-2-methyl-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-ethenyl-5-ethoxy-2-methyl-N-propan-2-ylpentan-1-amine is C=CC(C)(CCCOCC)CNC(C)C.
What is the InChIKey of 2-ethenyl-5-ethoxy-2-methyl-N-propan-2-ylpentan-1-amine?
The InChIKey is WQNXERINSQILJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-13(5,11-14-12(3)4)9-8-10-15-7-2/h6,12,14H,1,7-11H2,2-5H3.
What are the key properties of 2-ethenyl-5-ethoxy-2-methyl-N-propan-2-ylpentan-1-amine?
2-ethenyl-5-ethoxy-2-methyl-N-propan-2-ylpentan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-ethoxy-2-methyl-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 102641018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).