1-(4-hept-6-enoxyphenyl)propan-1-amine

C16H25NO — CID 107006008

IUPAC1-(4-hept-6-enoxyphenyl)propan-1-amine
SMILESC=CCCCCCOc1ccc(C(N)CC)cc1
InChIInChI=1S/C16H25NO/c1-3-5-6-7-8-13-18-15-11-9-14(10-12-15)16(17)4-2/h3,9-12,16H,1,4-8,13,17H2,2H3
InChIKeyIVGWEGCESLGGHV-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.22
Rot. Bonds9

About 1-(4-hept-6-enoxyphenyl)propan-1-amine

1-(4-hept-6-enoxyphenyl)propan-1-amine (PubChem CID 107006008) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(4-hept-6-enoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-hept-6-enoxyphenyl)propan-1-amine
PubChem CID107006008
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(4-hept-6-enoxyphenyl)propan-1-amine
SMILESC=CCCCCCOc1ccc(C(N)CC)cc1
InChIInChI=1S/C16H25NO/c1-3-5-6-7-8-13-18-15-11-9-14(10-12-15)16(17)4-2/h3,9-12,16H,1,4-8,13,17H2,2H3
InChIKeyIVGWEGCESLGGHV-UHFFFAOYSA-N
XLogP4.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.22
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

(1S)-1-(4-pent-4-enoxyphenyl)propan-1-amine
CID 78967480
1-(4-hept-6-enoxyphenyl)ethanamine
CID 107006007
(1S)-1-(4-octoxyphenyl)propan-1-amine
CID 78944099
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
1-(4-hept-6-enoxyphenyl)-N-propylpropan-1-amine
CID 107006087
1-[4-(3-ethoxypropoxy)phenyl]propan-1-amine
CID 65175902
1-ethyl-4-oct-7-enoxybenzene
CID 158431404
1-methyl-4-tridec-12-enoxybenzene
CID 139447523
5-[4-(1-aminopropyl)phenoxy]pentanenitrile
CID 54966257
1-[4-(2-ethoxyethoxy)phenyl]propan-1-amine
CID 43457024
1-pent-4-enoxy-4-propan-2-ylbenzene
CID 64764392
4-[4-[(1S)-1-aminopropyl]phenoxy]butanenitrile
CID 63367725

Frequently Asked Questions

What is the IUPAC name of 1-(4-hept-6-enoxyphenyl)propan-1-amine?
The IUPAC name of 1-(4-hept-6-enoxyphenyl)propan-1-amine (CID 107006008) is 1-(4-hept-6-enoxyphenyl)propan-1-amine.
What is the SMILES notation for 1-(4-hept-6-enoxyphenyl)propan-1-amine?
The canonical SMILES for 1-(4-hept-6-enoxyphenyl)propan-1-amine is C=CCCCCCOc1ccc(C(N)CC)cc1.
What is the InChIKey of 1-(4-hept-6-enoxyphenyl)propan-1-amine?
The InChIKey is IVGWEGCESLGGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-5-6-7-8-13-18-15-11-9-14(10-12-15)16(17)4-2/h3,9-12,16H,1,4-8,13,17H2,2H3.
What are the key properties of 1-(4-hept-6-enoxyphenyl)propan-1-amine?
1-(4-hept-6-enoxyphenyl)propan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hept-6-enoxyphenyl)propan-1-amine is sourced from PubChem (CID 107006008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).