5-(cyclopentylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine

C17H25N — CID 63407550

IUPAC5-(cyclopentylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
SMILESNC1(CC2CCCC2)CCCCc2ccccc21
InChIInChI=1S/C17H25N/c18-17(13-14-7-1-2-8-14)12-6-5-10-15-9-3-4-11-16(15)17/h3-4,9,11,14H,1-2,5-8,10,12-13,18H2
InChIKeyDBDKIVKTJSYWLB-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.15
Rot. Bonds2

About 5-(cyclopentylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine

5-(cyclopentylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine (PubChem CID 63407550) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 5-(cyclopentylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine.

Molecular Properties

Compound Name5-(cyclopentylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
PubChem CID63407550
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name5-(cyclopentylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
SMILESNC1(CC2CCCC2)CCCCc2ccccc21
InChIInChI=1S/C17H25N/c18-17(13-14-7-1-2-8-14)12-6-5-10-15-9-3-4-11-16(15)17/h3-4,9,11,14H,1-2,5-8,10,12-13,18H2
InChIKeyDBDKIVKTJSYWLB-UHFFFAOYSA-N
XLogP4.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine?
The IUPAC name of 5-(cyclopentylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine (CID 63407550) is 5-(cyclopentylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine.
What is the SMILES notation for 5-(cyclopentylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine?
The canonical SMILES for 5-(cyclopentylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine is NC1(CC2CCCC2)CCCCc2ccccc21.
What is the InChIKey of 5-(cyclopentylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine?
The InChIKey is DBDKIVKTJSYWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c18-17(13-14-7-1-2-8-14)12-6-5-10-15-9-3-4-11-16(15)17/h3-4,9,11,14H,1-2,5-8,10,12-13,18H2.
What are the key properties of 5-(cyclopentylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine?
5-(cyclopentylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine has a molecular weight of 243.39 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine is sourced from PubChem (CID 63407550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).