4-cyclohex-2-en-1-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine

C18H25NO — CID 114619832

IUPAC4-cyclohex-2-en-1-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1CCc2c(OC3C=CCCC3)cccc21
InChIInChI=1S/C18H25NO/c1-2-13-19-17-12-11-16-15(17)9-6-10-18(16)20-14-7-4-3-5-8-14/h4,6-7,9-10,14,17,19H,2-3,5,8,11-13H2,1H3
InChIKeyRDDCYXZJRDRMSX-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.16
Rot. Bonds5

About 4-cyclohex-2-en-1-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine

4-cyclohex-2-en-1-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 114619832) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 4-cyclohex-2-en-1-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-cyclohex-2-en-1-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine
PubChem CID114619832
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name4-cyclohex-2-en-1-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1CCc2c(OC3C=CCCC3)cccc21
InChIInChI=1S/C18H25NO/c1-2-13-19-17-12-11-16-15(17)9-6-10-18(16)20-14-7-4-3-5-8-14/h4,6-7,9-10,14,17,19H,2-3,5,8,11-13H2,1H3
InChIKeyRDDCYXZJRDRMSX-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-cyclohex-2-en-1-yloxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 114619851
6-cyclohex-2-en-1-yloxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 114619764
4-(3,3-dimethylbutoxy)-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 63485329
2-[[1-(propylamino)-2,3-dihydro-1H-inden-4-yl]oxy]pentanoic acid
CID 83035099
4-fluoro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383392
N-propyl-4-(2,2,2-trifluoroethoxymethoxy)-2,3-dihydro-1H-inden-1-amine
CID 106704665
5-but-3-enoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454622
5-(3-methoxypropoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454433
2-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxy]cyclohexan-1-ol
CID 63090133
N-ethyl-4-methoxy-2,3-dihydro-1H-inden-1-amine
CID 61383418
5-(cyclopropylmethoxymethoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106929342
N-[(2-cyclohex-2-en-1-yloxy-3-ethoxyphenyl)methyl]propan-1-amine
CID 114619678

Frequently Asked Questions

What is the IUPAC name of 4-cyclohex-2-en-1-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-cyclohex-2-en-1-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine (CID 114619832) is 4-cyclohex-2-en-1-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-cyclohex-2-en-1-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-cyclohex-2-en-1-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine is CCCNC1CCc2c(OC3C=CCCC3)cccc21.
What is the InChIKey of 4-cyclohex-2-en-1-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is RDDCYXZJRDRMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-2-13-19-17-12-11-16-15(17)9-6-10-18(16)20-14-7-4-3-5-8-14/h4,6-7,9-10,14,17,19H,2-3,5,8,11-13H2,1H3.
What are the key properties of 4-cyclohex-2-en-1-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine?
4-cyclohex-2-en-1-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 271.40 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohex-2-en-1-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 114619832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).