N-(cyclohex-3-en-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine

C17H23N — CID 43102283

IUPACN-(cyclohex-3-en-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESC1=CCC(CNc2cccc3c2CCCC3)CC1
InChIInChI=1S/C17H23N/c1-2-7-14(8-3-1)13-18-17-12-6-10-15-9-4-5-11-16(15)17/h1-2,6,10,12,14,18H,3-5,7-9,11,13H2
InChIKeyFUTVKYRQJGAHIF-UHFFFAOYSA-N
MW241.38 g/mol
LogP4.33
Rot. Bonds3

About N-(cyclohex-3-en-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine

N-(cyclohex-3-en-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine (PubChem CID 43102283) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
PubChem CID43102283
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESC1=CCC(CNc2cccc3c2CCCC3)CC1
InChIInChI=1S/C17H23N/c1-2-7-14(8-3-1)13-18-17-12-6-10-15-9-4-5-11-16(15)17/h1-2,6,10,12,14,18H,3-5,7-9,11,13H2
InChIKeyFUTVKYRQJGAHIF-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine (CID 43102283) is N-(cyclohex-3-en-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine is C1=CCC(CNc2cccc3c2CCCC3)CC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The InChIKey is FUTVKYRQJGAHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-2-7-14(8-3-1)13-18-17-12-6-10-15-9-4-5-11-16(15)17/h1-2,6,10,12,14,18H,3-5,7-9,11,13H2.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
N-(cyclohex-3-en-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine has a molecular weight of 241.38 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 43102283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).