N-ethyl-2-hept-1-en-2-yloxyethanamine

C11H23NO — CID 90710090

IUPACN-ethyl-2-hept-1-en-2-yloxyethanamine
SMILESC=C(CCCCC)OCCNCC
InChIInChI=1S/C11H23NO/c1-4-6-7-8-11(3)13-10-9-12-5-2/h12H,3-10H2,1-2H3
InChIKeyUMNDIVKOUMOYBO-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.71
Rot. Bonds9

About N-ethyl-2-hept-1-en-2-yloxyethanamine

N-ethyl-2-hept-1-en-2-yloxyethanamine (PubChem CID 90710090) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-ethyl-2-hept-1-en-2-yloxyethanamine.

Molecular Properties

Compound NameN-ethyl-2-hept-1-en-2-yloxyethanamine
PubChem CID90710090
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-ethyl-2-hept-1-en-2-yloxyethanamine
SMILESC=C(CCCCC)OCCNCC
InChIInChI=1S/C11H23NO/c1-4-6-7-8-11(3)13-10-9-12-5-2/h12H,3-10H2,1-2H3
InChIKeyUMNDIVKOUMOYBO-UHFFFAOYSA-N
XLogP2.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(ethylamino)ethyl tetradecanoate
CID 22321443
1-oct-1-en-2-yloxydodecane
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CID 141375140
N-ethyl-4-methoxypent-4-en-1-amine
CID 142218478
4-undec-1-en-2-yloxybutanal
CID 144696113
2-methoxyicos-1-ene
CID 175283491
2-(2-nonanoyloxyethylamino)ethyl nonanoate
CID 101278322
3-(ethylamino)propyl octadecanoate
CID 157471077
2-hept-1-en-2-yloxyethyl 2-methylprop-2-enoate
CID 169002157
2-henicos-1-en-2-yloxyhenicos-1-ene
CID 19992658
2-(2-propoxyethylamino)ethyl dodecanoate
CID 118029095
heptyl 3-(ethylamino)propanoate
CID 62328311

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-hept-1-en-2-yloxyethanamine?
The IUPAC name of N-ethyl-2-hept-1-en-2-yloxyethanamine (CID 90710090) is N-ethyl-2-hept-1-en-2-yloxyethanamine.
What is the SMILES notation for N-ethyl-2-hept-1-en-2-yloxyethanamine?
The canonical SMILES for N-ethyl-2-hept-1-en-2-yloxyethanamine is C=C(CCCCC)OCCNCC.
What is the InChIKey of N-ethyl-2-hept-1-en-2-yloxyethanamine?
The InChIKey is UMNDIVKOUMOYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-6-7-8-11(3)13-10-9-12-5-2/h12H,3-10H2,1-2H3.
What are the key properties of N-ethyl-2-hept-1-en-2-yloxyethanamine?
N-ethyl-2-hept-1-en-2-yloxyethanamine has a molecular weight of 185.31 g/mol, XLogP of 2.71, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-hept-1-en-2-yloxyethanamine is sourced from PubChem (CID 90710090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).