N-[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]aniline

C16H21N — CID 134905943

IUPACN-[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]aniline
SMILESC=C(C)[C@@H]1CC=C(C)[C@H](Nc2ccccc2)C1
InChIInChI=1S/C16H21N/c1-12(2)14-10-9-13(3)16(11-14)17-15-7-5-4-6-8-15/h4-9,14,16-17H,1,10-11H2,2-3H3/t14-,16-/m1/s1
InChIKeyOOAMQOGCOHOCOX-GDBMZVCRSA-N
MW227.35 g/mol
LogP4.40
Rot. Bonds3

About N-[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]aniline

N-[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]aniline (PubChem CID 134905943) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]aniline.

Molecular Properties

Compound NameN-[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]aniline
PubChem CID134905943
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC NameN-[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]aniline
SMILESC=C(C)[C@@H]1CC=C(C)[C@H](Nc2ccccc2)C1
InChIInChI=1S/C16H21N/c1-12(2)14-10-9-13(3)16(11-14)17-15-7-5-4-6-8-15/h4-9,14,16-17H,1,10-11H2,2-3H3/t14-,16-/m1/s1
InChIKeyOOAMQOGCOHOCOX-GDBMZVCRSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.40
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-[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]aniline?
The IUPAC name of N-[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]aniline (CID 134905943) is N-[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]aniline.
What is the SMILES notation for N-[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]aniline?
The canonical SMILES for N-[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]aniline is C=C(C)[C@@H]1CC=C(C)[C@H](Nc2ccccc2)C1.
What is the InChIKey of N-[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]aniline?
The InChIKey is OOAMQOGCOHOCOX-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H21N/c1-12(2)14-10-9-13(3)16(11-14)17-15-7-5-4-6-8-15/h4-9,14,16-17H,1,10-11H2,2-3H3/t14-,16-/m1/s1.
What are the key properties of N-[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]aniline?
N-[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]aniline has a molecular weight of 227.35 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]aniline is sourced from PubChem (CID 134905943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).