N-(2-aminoethoxy)-4-(3-tert-butylphenyl)cyclohexen-1-amine

C18H28N2O — CID 91337543

IUPACN-(2-aminoethoxy)-4-(3-tert-butylphenyl)cyclohexen-1-amine
SMILESCC(C)(C)c1cccc(C2CC=C(NOCCN)CC2)c1
InChIInChI=1S/C18H28N2O/c1-18(2,3)16-6-4-5-15(13-16)14-7-9-17(10-8-14)20-21-12-11-19/h4-6,9,13-14,20H,7-8,10-12,19H2,1-3H3
InChIKeyRSSGLJPPMCYRKU-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.62
Rot. Bonds5

About N-(2-aminoethoxy)-4-(3-tert-butylphenyl)cyclohexen-1-amine

N-(2-aminoethoxy)-4-(3-tert-butylphenyl)cyclohexen-1-amine (PubChem CID 91337543) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(2-aminoethoxy)-4-(3-tert-butylphenyl)cyclohexen-1-amine.

Molecular Properties

Compound NameN-(2-aminoethoxy)-4-(3-tert-butylphenyl)cyclohexen-1-amine
PubChem CID91337543
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-(2-aminoethoxy)-4-(3-tert-butylphenyl)cyclohexen-1-amine
SMILESCC(C)(C)c1cccc(C2CC=C(NOCCN)CC2)c1
InChIInChI=1S/C18H28N2O/c1-18(2,3)16-6-4-5-15(13-16)14-7-9-17(10-8-14)20-21-12-11-19/h4-6,9,13-14,20H,7-8,10-12,19H2,1-3H3
InChIKeyRSSGLJPPMCYRKU-UHFFFAOYSA-N
XLogP3.62
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethoxy)-4-(3-tert-butylphenyl)cyclohexen-1-amine?
The IUPAC name of N-(2-aminoethoxy)-4-(3-tert-butylphenyl)cyclohexen-1-amine (CID 91337543) is N-(2-aminoethoxy)-4-(3-tert-butylphenyl)cyclohexen-1-amine.
What is the SMILES notation for N-(2-aminoethoxy)-4-(3-tert-butylphenyl)cyclohexen-1-amine?
The canonical SMILES for N-(2-aminoethoxy)-4-(3-tert-butylphenyl)cyclohexen-1-amine is CC(C)(C)c1cccc(C2CC=C(NOCCN)CC2)c1.
What is the InChIKey of N-(2-aminoethoxy)-4-(3-tert-butylphenyl)cyclohexen-1-amine?
The InChIKey is RSSGLJPPMCYRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-18(2,3)16-6-4-5-15(13-16)14-7-9-17(10-8-14)20-21-12-11-19/h4-6,9,13-14,20H,7-8,10-12,19H2,1-3H3.
What are the key properties of N-(2-aminoethoxy)-4-(3-tert-butylphenyl)cyclohexen-1-amine?
N-(2-aminoethoxy)-4-(3-tert-butylphenyl)cyclohexen-1-amine has a molecular weight of 288.44 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethoxy)-4-(3-tert-butylphenyl)cyclohexen-1-amine is sourced from PubChem (CID 91337543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).