N-ethyl-1-(2-hept-6-enoxyphenyl)propan-1-amine

C18H29NO — CID 107006072

IUPACN-ethyl-1-(2-hept-6-enoxyphenyl)propan-1-amine
SMILESC=CCCCCCOc1ccccc1C(CC)NCC
InChIInChI=1S/C18H29NO/c1-4-7-8-9-12-15-20-18-14-11-10-13-16(18)17(5-2)19-6-3/h4,10-11,13-14,17,19H,1,5-9,12,15H2,2-3H3
InChIKeyWYQCYUKSTQJOHS-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.87
Rot. Bonds11

About N-ethyl-1-(2-hept-6-enoxyphenyl)propan-1-amine

N-ethyl-1-(2-hept-6-enoxyphenyl)propan-1-amine (PubChem CID 107006072) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-ethyl-1-(2-hept-6-enoxyphenyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-hept-6-enoxyphenyl)propan-1-amine
PubChem CID107006072
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-ethyl-1-(2-hept-6-enoxyphenyl)propan-1-amine
SMILESC=CCCCCCOc1ccccc1C(CC)NCC
InChIInChI=1S/C18H29NO/c1-4-7-8-9-12-15-20-18-14-11-10-13-16(18)17(5-2)19-6-3/h4,10-11,13-14,17,19H,1,5-9,12,15H2,2-3H3
InChIKeyWYQCYUKSTQJOHS-UHFFFAOYSA-N
XLogP4.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.87
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

N-ethyl-1-[2-(3-methoxypropoxy)phenyl]propan-1-amine
CID 54935500
1-[2-(3,3-dimethylbutoxy)phenyl]-N-ethylpropan-1-amine
CID 63501142
N-ethyl-1-(2-pent-3-ynoxyphenyl)propan-1-amine
CID 104804539
1-ethyl-2-hept-6-enoxybenzene
CID 107010566
1-[2-(3-ethoxypropoxy)phenyl]-N-propylpropan-1-amine
CID 65176453
methyl 2-[2-[1-(ethylamino)propyl]phenoxy]acetate
CID 60881530
N-ethyl-4-methoxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine
CID 104660193
1-[2-(3-fluoropropoxy)phenyl]-N-propylpropan-1-amine
CID 81106764
N-ethyl-2-propoxy-1-(2-propoxyphenyl)ethanamine
CID 104660013
1-[2-(cyclopropylmethoxymethoxy)phenyl]-N-ethylpropan-1-amine
CID 106929153
2-(3-ethoxycyclobutyl)-1-(2-ethoxyphenyl)-N-ethylethanamine
CID 103168605
1-ethoxy-3-[2-[1-(ethylamino)propyl]phenoxy]propan-2-ol
CID 63934370

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-hept-6-enoxyphenyl)propan-1-amine?
The IUPAC name of N-ethyl-1-(2-hept-6-enoxyphenyl)propan-1-amine (CID 107006072) is N-ethyl-1-(2-hept-6-enoxyphenyl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(2-hept-6-enoxyphenyl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(2-hept-6-enoxyphenyl)propan-1-amine is C=CCCCCCOc1ccccc1C(CC)NCC.
What is the InChIKey of N-ethyl-1-(2-hept-6-enoxyphenyl)propan-1-amine?
The InChIKey is WYQCYUKSTQJOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-7-8-9-12-15-20-18-14-11-10-13-16(18)17(5-2)19-6-3/h4,10-11,13-14,17,19H,1,5-9,12,15H2,2-3H3.
What are the key properties of N-ethyl-1-(2-hept-6-enoxyphenyl)propan-1-amine?
N-ethyl-1-(2-hept-6-enoxyphenyl)propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.87, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-hept-6-enoxyphenyl)propan-1-amine is sourced from PubChem (CID 107006072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).