N,N-dimethyl-1-(1-naphthalen-2-ylcyclohex-3-en-1-yl)methanamine

C19H23N — CID 68674940

IUPACN,N-dimethyl-1-(1-naphthalen-2-ylcyclohex-3-en-1-yl)methanamine
SMILESCN(C)CC1(c2ccc3ccccc3c2)CC=CCC1
InChIInChI=1S/C19H23N/c1-20(2)15-19(12-6-3-7-13-19)18-11-10-16-8-4-5-9-17(16)14-18/h3-6,8-11,14H,7,12-13,15H2,1-2H3
InChIKeyTXLALBNPPFHMQH-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.38
Rot. Bonds3

About N,N-dimethyl-1-(1-naphthalen-2-ylcyclohex-3-en-1-yl)methanamine

N,N-dimethyl-1-(1-naphthalen-2-ylcyclohex-3-en-1-yl)methanamine (PubChem CID 68674940) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is N,N-dimethyl-1-(1-naphthalen-2-ylcyclohex-3-en-1-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(1-naphthalen-2-ylcyclohex-3-en-1-yl)methanamine
PubChem CID68674940
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC NameN,N-dimethyl-1-(1-naphthalen-2-ylcyclohex-3-en-1-yl)methanamine
SMILESCN(C)CC1(c2ccc3ccccc3c2)CC=CCC1
InChIInChI=1S/C19H23N/c1-20(2)15-19(12-6-3-7-13-19)18-11-10-16-8-4-5-9-17(16)14-18/h3-6,8-11,14H,7,12-13,15H2,1-2H3
InChIKeyTXLALBNPPFHMQH-UHFFFAOYSA-N
XLogP4.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.38
H-Bond Donors ≤ 50
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,N-dimethyl-1-(1-naphthalen-2-ylcyclohex-3-en-1-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(1-naphthalen-2-ylcyclohex-3-en-1-yl)methanamine (CID 68674940) is N,N-dimethyl-1-(1-naphthalen-2-ylcyclohex-3-en-1-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(1-naphthalen-2-ylcyclohex-3-en-1-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(1-naphthalen-2-ylcyclohex-3-en-1-yl)methanamine is CN(C)CC1(c2ccc3ccccc3c2)CC=CCC1.
What is the InChIKey of N,N-dimethyl-1-(1-naphthalen-2-ylcyclohex-3-en-1-yl)methanamine?
The InChIKey is TXLALBNPPFHMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-20(2)15-19(12-6-3-7-13-19)18-11-10-16-8-4-5-9-17(16)14-18/h3-6,8-11,14H,7,12-13,15H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(1-naphthalen-2-ylcyclohex-3-en-1-yl)methanamine?
N,N-dimethyl-1-(1-naphthalen-2-ylcyclohex-3-en-1-yl)methanamine has a molecular weight of 265.40 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(1-naphthalen-2-ylcyclohex-3-en-1-yl)methanamine is sourced from PubChem (CID 68674940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).